[ CAS No. 45267-19-4 ] {[proInfo.proName]}

Name: 45267-19-4|N-(3-(Dimethylamino)propyl)tetradecanamide|95%
Brand: Ambeed
SKU: A267490
Rating: 99 (22 reviews)

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3d Animation Molecule Structure of 45267-19-4

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Quality Control of [ 45267-19-4 ]

COA NMR CNMR HPLC LC-MS

Related Doc. of [ 45267-19-4 ]

SDS Specification

Alternatived Products of [ 45267-19-4 ]

Product Details of [ 45267-19-4 ]

CAS No. :	45267-19-4	MDL No. :	MFCD02029644
Formula :	C₁₉H₄₀N₂O	Boiling Point :	-
Linear Structure Formula :	-	InChI Key :	IFYDWYVPVAMGRO-UHFFFAOYSA-N
M.W :	312.53	Pubchem ID :	170759
Synonyms :		Chemical Name :	N-(3-(Dimethylamino)propyl)tetradecanamide

Calculated chemistry of [ 45267-19-4 ] Expand+

Physicochemical Properties

Num. heavy atoms :	22
Num. arom. heavy atoms :	0
Fraction Csp3 :	0.95
Num. rotatable bonds :	17
Num. H-bond acceptors :	2.0
Num. H-bond donors :	1.0
Molar Refractivity :	99.34
TPSA :	32.34 Å²

Pharmacokinetics

GI absorption :	High
BBB permeant :	Yes
P-gp substrate :	No
CYP1A2 inhibitor :	Yes
CYP2C19 inhibitor :	No
CYP2C9 inhibitor :	No
CYP2D6 inhibitor :	Yes
CYP3A4 inhibitor :	Yes
Log Kp (skin permeation) :	-3.82 cm/s

Lipophilicity

Log Po/w (iLOGP) :	4.62
Log Po/w (XLOGP3) :	6.18
Log Po/w (WLOGP) :	4.76
Log Po/w (MLOGP) :	3.62
Log Po/w (SILICOS-IT) :	5.22
Consensus Log Po/w :	4.88

Druglikeness

Lipinski :	0.0
Ghose :	None
Veber :	1.0
Egan :	0.0
Muegge :	2.0
Bioavailability Score :	0.55

Water Solubility

Log S (ESOL) :	-4.55
Solubility :	0.00883 mg/ml ; 0.0000282 mol/l
Class :	Moderately soluble
Log S (Ali) :	-6.64
Solubility :	0.0000711 mg/ml ; 0.000000227 mol/l
Class :	Poorly soluble
Log S (SILICOS-IT) :	-6.43
Solubility :	0.000115 mg/ml ; 0.000000369 mol/l
Class :	Poorly soluble

Medicinal Chemistry

PAINS :	0.0 alert
Brenk :	0.0 alert
Leadlikeness :	2.0
Synthetic accessibility :	2.71

Safety of [ 45267-19-4 ]

Signal Word:	Warning	Class:	N/A
Precautionary Statements:	P261-P305+P351+P338	UN#:	N/A
Hazard Statements:	H302-H315-H319-H335	Packing Group:	N/A
GHS Pictogram:

Application In Synthesis of [ 45267-19-4 ]

* All experimental methods are cited from the reference, please refer to the original source for details. We do not guarantee the accuracy of the content in the reference.

Downstream synthetic route of [ 45267-19-4 ]

[ 45267-19-4 ] Synthesis Path-Downstream 1~23

1
[ 629-63-0 ]
[ 109-55-7 ]
[ 45267-19-4 ]

Reference： [1]Patent: US2820801,1954,

2
[ 109-55-7 ]
[ 112-64-1 ]
[ 45267-19-4 ]

Reference： [1]Patent: DE1139738,1963,
Chem.Abstr.,1963,vol. 58

3
[ 74-96-4 ]
[ 45267-19-4 ]
[ 94036-26-7 ]

Reference： [1]Pharmaceutical Chemistry Journal,1981,vol. 15,p. 85 - 87
Khimiko-Farmatsevticheskii Zhurnal,1981,vol. 15,p. 28 - 30
[2]Journal of Surfactants and Detergents,2013,vol. 16,p. 85 - 93

4
[ 544-63-8 ]
[ 109-55-7 ]
[ 45267-19-4 ]

Yield	Reaction Conditions	Operation in experiment
92%	With toluene-4-sulfonic acid; In 5,5-dimethyl-1,3-cyclohexadiene; at 137℃; for 24h;	General procedure: 1,3-dimethylamino-1-propyl amine (DMAPA) (0.1 mol)was dissolved in 150 ml xylene, then 0.1 mol of fatty acid(dodecanoic, tetradecanoic and hexadecanoic acid) wasadded. Finally, 0.01 % p-toluene sulphonic acid was addedas catalyst. The reaction mixture was heated to 137 C forabout 24 h until complete removal of reaction water (0.1 mol, 1.8 ml) using a Dean-Stark apparatus. The solvent was evaporated under vacuum rotary evaporator. Petroleum ether was used to remove the catalyst [10]. Thereaction yield was 92 %.
92.31%		1) Amidation reaction:22.84 g of myristic acid was added to a three-necked flask equipped with a reflux condenser.Warming to 80 C causes the myristic acid to slowly melt.Then, 10.73 g of 3-dimethylaminopropylamine was added dropwise with stirring.(The molar ratio of myristic acid to 3-dimethylaminopropylamine is 1:1.05),After 30 minutes, add 0.17g of NaOH as a catalyst.The temperature is raised to 160 C, and the amidation reaction is carried out.After 6 h of reaction, 10 g of 4A molecular sieve was added and the reaction was continued for 5 h.After the reaction is completed, the crude product is unreacted by distillation under reduced pressure.3-dimethylaminopropylamine and by-product water, with a mass fraction of 1%Washing with Na2CO3 solution to remove unreacted myristic acid,Obtaining myristamide propyl dimethyl tertiary amine in a yield of 92.31%
	With dmap; 1,2-dichloro-ethane; In dichloromethane; at 20℃; for 8h;Inert atmosphere;	General procedure: Carboxylic acid 1 (2.9 mmol) was dissolved in anhydrous dichloromethane (0.2 M) at room temperature under Argon atmosphere. N,N-alkyl-diamine (4.3 mmol), EDC (1-ethyl-3-[3-dimethylaminopropyl]carboimide hydrochloride, 4.3 mmol), and DMAP (4-dimethylaminopyridine, 0.9 mmol) were added, and the mixture was stirred for 8 h at room temperature. Saturated NH4Cl solution was added, and the mixture was extracted with dichloromethane (3Chi). The organic layer was washed with brine, dried over anhydrous Na2SO4, and concentrated in vacuo. The residue was purifiedby chromatography on silica gel with 5% MeOH/CH2Cl2 to afford amides.

	With toluene-4-sulfonic acid; In 5,5-dimethyl-1,3-cyclohexadiene; at 138℃;Dean-Stark;	1,3-dimethylamino-1-propyl amine (DMAPA) (0.1 mol.) was dissolved in 120 mL xylene then 0.1 mol. of tetradecanoic acid was added with 0.01% p-toluene sulphonic acid as a catalyst. The reaction mixture subject to reflux at 138 C until complete removal of reaction water(0.1 mol., 1.8 mL) using Dean-Stark apparatus. The solvent was evaporated under vacuum rotary evaporator. Petroleum ether was used to get rid of the used catalyst.
		(1) 1 mol myristic acid and the previous batch of distillation recovery was N,N-dimethyl-1,3-propanediamine waste into the three-necked flask. Under nitrogen gas, add 0.1g sodium borohydride. Stir. Slowly heat to 100 C. Control the heating rate. The heating rate per hour does not exceed 16 C. React for 3-4h. Collecting fractions, The content of N, N-dimethyl-1,3-propanediamine in the collected fraction was examined, When the content is less than 0.5% can be used as wastewater treatment. when the content was greater than 0.5% reflux back to the reactor reaction;(2) At this point, 1.15 mol of pure N,N-dimethyl-1,3-propanediamine was added to the flask, Heated to 160 deg.C , Keep for 4 hours, Another collection of reflux, The reflux solution collected this time back to the flask reaction,The temperature was raised to 170 C, Continue to maintain 3 hours. Afterwards, collect the reflux, vacuum, until no distillate, The N, N-dimethyl-1,3-propanediamine distillate was collected together with the reflux,The next reaction to use,The material was cooled to 80 deg.C,The reaction is completed,In this case, the intermediate (PKO) is obtained,Measurement of free acid content in PKO is 0.85%;

Reference： [1]Pharmaceutical Chemistry Journal,1981,vol. 15,p. 85 - 87
Khimiko-Farmatsevticheskii Zhurnal,1981,vol. 15,p. 28 - 30
[2]RSC Advances,2016,vol. 6,p. 39784 - 39800
[3]Journal of Surfactants and Detergents,2016,vol. 19,p. 501 - 510
[4]Patent: CN106800520,2018,B .Location in patent: Paragraph 0059; 0061
[5]Langmuir,2012,vol. 28,p. 1175 - 1181
[6]European Journal of Medicinal Chemistry,2013,vol. 63,p. 621 - 628
[7]Journal of Molecular Liquids,2015,vol. 212,p. 699 - 707
[8]Patent: CN106496059,2017,A .Location in patent: Paragraph 0029; 0030; 0031

5
[ 112-64-1 ]
N_.N-dimethyl-trimethylenediamine [ No CAS ]
[ 45267-19-4 ]

Reference： [1]Patent: US2459062,1944,

Yield	Reaction Conditions	Operation in experiment
		EXAMPLE 1 Preparation of a UV-Light-Absorbing Quaternary Polysiloxane According to the Invention and of the General Formula 5.5 g (0.0176 mol) of a tertiary amine of the general formula: are initially introduced together with 1.9 g (0.032 mol) of acetic acid and 16.5 g of cinnamic acid (0.111 mmol) and 30 ml of isopropanol into a 250 ml four-necked flask fitted with stirrer, dropping funnel, thermometer and reflux condenser. After 5 minutes, 42 g (0.14 mol of epoxy) of an epoxysiloxane of the general formula: are added dropwise, heated to reflux temperature and stirred for 6 hours. The mixture is then distilled at 100 C. under reduced pressure. A high-viscosity, yellow-brown product is obtained.

Yield	Reaction Conditions	Operation in experiment
		EXAMPLE 2 Preparation of a UV-Light-Absorbing Quaternary Polysiloxane According to the Invention and of the General Formula 6.3 g (0.02 mol) of a tertiary amine of the general formula: are initially introduced together with 1.3 g (0.021 mol) of acetic acid and 11.8 g of cinnamic acid (0.08 mol) and 30 ml of isopropanol into a 250 ml four-necked flask fitted with stirrer, dropping funnel, thermometer and reflux condenser. After 5 minutes, 38 g (0.10 mol of epoxy) of an epoxysiloxane of the general formula: are added dropwise, heated to reflux temperature and stirred for 6 hours. The mixture is then distilled at 100 C. under reduced pressure. A high-viscosity, yellow-brown product is obtained (quaternary nitrogen found: 1.65%; theoretical: 1.9%).

Yield	Reaction Conditions	Operation in experiment
		EXAMPLE 3 Preparation of a UV-Light-Absorbing Quaternary Polysiloxane According to the Invention and of the General Formula 15.8 g (0.05 mol) of a tertiary amine of the general formula: are initially introduced together with 3.8 g (0.051 mol) of acetic acid and 35.6 g of 4-methoxycinnamic acid (0.2 mol) and 30 ml of isopropanol into a 250 ml four-necked flask fitted with stirrer, dropping funnel, thermometer and reflux condenser. After 5 minutes, 97.6 g (0.25 mol of epoxy) of an epoxysiloxane of the general formula: are added dropwise, heated to reflux temperature and stirred for 6 hours. The mixture is then distilled at 100 C. under reduced pressure. A high-viscosity, wax-like, yellow-brown product is obtained.

9
[ 144-55-8 ]
[ 109-55-7 ]
[ 112-64-1 ]
[ 45267-19-4 ]

Yield	Reaction Conditions	Operation in experiment
	In chloroform;	EXAMPLE 2 N,N-Dimethyl-N'-Tetradecanoyl-1,3-Propylenediamine (Compound No. 4) 2.0 g. (0.0196 moles) of 3-dimethylaminopropylamine in 40 ml chloroform was added dropwise to an ice cold chloroform solution (50 ml) of myristoyl chloride (4.17 g., 0.0169 moles). After addition, the ice bath was removed and the solution was stirred for 2 hours. A 25 ml aqueous sodium bicarbonate solution was added and stirred for 30 minutes. The organic layer was then washed with 30 ml aqueous sodium bicarbonate/sodium chloride solution and dried with magnesium sulfate. The solution was concentrated in vacuo and the amide was recrystallized in ethyl acetate to yield 3.29 g. (0.0105 moles, 62.3%) of the subject compound. PMR (200 MHz, CDCL3): delta6.9 (s, 1H, NH), 3.3 (q, 3H, NHCH2), 2.4 (t, 2H, NCH2), 2.22 (s, 6H, NCH3), 2.15 (t, 2H, COCH2), 1.7-1.5 (m, 4H, COCH2 CH2 and NHCH2 CH2), 1.25 (s, 20H, COCH2 CH2 (CH2)10), 0.88 (t, 3H, CH3). Elemental Analysis: Calculated for C19 H40 N2 O (312.52): C, 73.02; H, 12.90; N, 8.96. Found: C, 72.96; H, 12.92; N, 8.93
	In chloroform;	EXAMPLE 2 N,N-Dimethyl-N'-Tetradecanoyl-1,3-Propylenediamine (Compound No. 4) 2.0 g. (0.0196 moles) of 3-dimethylaminopropylamine in 40 ml chloroform was added dropwise to an ice cold chloroform solution (50 ml) of myristoyl chloride (4.17 g., 0.0169 moles). After addition, the ice bath was removed and the solution was stirred for 2 hours. A 25 ml aqueous sodium bicarbonate solution was added and stirred for 30 minutes. The organic layer was then washed with 30 ml aqueous sodium bicarbonate/sodium chloride solution and dried with magnesium sulfate. The solution was concentrated in vacuo and the amide was recrystallized in ethyl acetate to yield 3.29 g. (0.0105 moles, 62.3%) of the subject compound. 1 H NMR (200 MHz, CDCl3): delta6.9 (s, 1H, NH), 3.3 (q, 3H, NHCH2), 2.4 (t, 2H, NCH2), 2.22 (s, 6H, NCH3), 2.15 (t, 2H, COCH2), 1.7-1.5 (m, 4H, COCH2 CH2 and NHCH2 CH2), 1.25 (s, 20H, COCH2 CH2 (CH2)10), 0.88 (t, 3H, CH3). Elemental Analysis: Calculated for C19 H40 N2 O (312.52): C, 73.02; H, 12.90; N, 8.96. Found: C, 72.96; H, 12.92; N, 8.93.

Reference： [1]Patent: US5393491,1995,A
[2]Patent: US5573726,1996,A

10
1,1-dimethylamino-3-aminopropane [ No CAS ]
[ 544-63-8 ]
[ 45267-19-4 ]

Yield	Reaction Conditions	Operation in experiment
82%	In sodium hydroxide;	EXAMPLE 6 A solution of 2.284 g. (0.01 mole) of myristic acid was converted to its corresponding mixed anhydride derivative, 1.5 ml. (50 percent excess) of 1,1-dimethylamino-3-aminopropane was added and stirred for 1/2 hour at room temperature and 1/2 hour at about 60. The pH was adjusted to 12 by the addition of IN NaOH and it was extracted with ethyl acetate (3*15 ml) The organic layer was washed several times with water and evaporated to give 2.59 g. of N-(3-dimethylaminopropyl) tetradecanoamide (82% yield) mp 44-45.

Reference： [1]Patent: US4780542,1988,A

12
[ 1120-71-4 ]
[ 45267-19-4 ]
3-(N,N-dimethyl(myristoylaminopropyl)ammonio)sulfopropyl betaine [ No CAS ]

Reference： [1]Langmuir,2012,vol. 28,p. 1175 - 1181

13
[ 110-95-2 ]
[ 544-63-8 ]
[ 45267-19-4 ]

Reference： [1]Journal of Surfactants and Detergents,2013,vol. 16,p. 85 - 93

14
[ 45267-19-4 ]
[ 109-64-8 ]
tetradecanoic acid [3-({3-(3-tetradecanoylaminopropyl)dimethylamino}dimethylamino)propyl]amide dibromide [ No CAS ]

Reference： [1]Journal of Surfactants and Detergents,2013,vol. 16,p. 85 - 93

15
[ 629-03-8 ]
[ 45267-19-4 ]
tetradecanoic acid [3-({6-[(3-tetradecanoylaminopropyl)dimethylamino]hexyl}dimethylamino)propyl]amide dibromide [ No CAS ]

Reference： [1]Journal of Surfactants and Detergents,2013,vol. 16,p. 85 - 93

16
[ 45267-19-4 ]
[ 74-88-4 ]
[ 919295-85-5 ]

Yield	Reaction Conditions	Operation in experiment
	In acetonitrile; at 20 - 150℃; for 7h;	General procedure: Alkyl halide (1.6 mmol) was added to a solution of 2a-j and 4a-c (0.8 mmol) in anhydrous acetonitrile (0.3 M) at room temperature,and the reaction mixture was heated to ~140-150 C for 7 h. After the reaction mixture equilibrated to room temperature, the precipitate was granulated for 1 h at 0 C. Solids were collected byfiltration, washed with ethyl acetate, and dried in vacuo.

Reference： [1]European Journal of Medicinal Chemistry,2013,vol. 63,p. 621 - 628

17
[ 45267-19-4 ]
[ 623-25-6 ]
C₄₆H₈₈N₄O₂⁽²⁺⁾*2Cl^(1-) [ No CAS ]

Reference： [1]Journal of Surfactants and Detergents,2013,vol. 16,p. 913 - 919

18
[ 45267-19-4 ]
[ 112-82-3 ]
N,N-dimethyl-N-(3-tetradecanamidopropyl)hexadecan-1-aminium bromide [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
	In ethanol;Reflux;	General procedure: The prepared <strong>[45267-19-4]N-(3-(dimethylamino)propyl)tetradecanamide</strong> (0.1 mol.) from the previous step was refluxed with fatty alkyl bromide (decyl bromide, dodecyl bromide and hexadecyl bromide) (0.1 mol.) in 120 ml ethanol as solvent from 30 to 40 h depending on the alkyl chain length. Then it cooled at room temperature. The solvent was evaporated under vacuum and the residue subject to recrystallization using diethylether. The obtained amido-amine cationic surfactants named I, II and III and the general procedures for the synthesis were depicted in Scheme 1.

Reference： [1]Journal of Molecular Liquids,2015,vol. 212,p. 699 - 707

19
[ 112-29-8 ]
[ 45267-19-4 ]
N,N-dimethyl-N-(3-tetradecanamidopropyl)decan-1-aminium bromide [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
	In ethanol;Reflux;	General procedure: The prepared <strong>[45267-19-4]N-(3-(dimethylamino)propyl)tetradecanamide</strong> (0.1 mol.) from the previous step was refluxed with fatty alkyl bromide (decyl bromide, dodecyl bromide and hexadecyl bromide) (0.1 mol.) in 120 ml ethanol as solvent from 30 to 40 h depending on the alkyl chain length. Then it cooled at room temperature. The solvent was evaporated under vacuum and the residue subject to recrystallization using diethylether. The obtained amido-amine cationic surfactants named I, II and III and the general procedures for the synthesis were depicted in Scheme 1.

Reference： [1]Journal of Molecular Liquids,2015,vol. 212,p. 699 - 707

20
[ 45267-19-4 ]
[ 143-15-7 ]
N,N-dimethyl-N-(3-tetradecanamidopropyl)dodecan-1-aminium bromide [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
	In ethanol;Reflux;	General procedure: The prepared <strong>[45267-19-4]N-(3-(dimethylamino)propyl)tetradecanamide</strong> (0.1 mol.) from the previous step was refluxed with fatty alkyl bromide (decyl bromide, dodecyl bromide and hexadecyl bromide) (0.1 mol.) in 120 ml ethanol as solvent from 30 to 40 h depending on the alkyl chain length. Then it cooled at room temperature. The solvent was evaporated under vacuum and the residue subject to recrystallization using diethylether. The obtained amido-amine cationic surfactants named I, II and III and the general procedures for the synthesis were depicted in Scheme 1.

Reference： [1]Journal of Molecular Liquids,2015,vol. 212,p. 699 - 707

21
[ 45267-19-4 ]
[ 100-44-7 ]
benzyl(dimethyl)[3-(tetradecanoylamino)propyl]ammonium chloride [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
	In ethanol; at 78℃;Reflux;	General procedure: The prepared N-(3-(dimethylamino) propyl) alkanamide (0.1 mol) from the previous step was refluxed with benzyl chloride (0.1 mol) in 150 ml ethanol at 78 C from 25 to 30 h depending on the alkyl chain length of the amide(shorter chain length requires less time). The solvent was evaporated under vacuum and the residue subject to recrystallization using diethyl ether. The reaction yield was 97-98 % for the three synthesized products. The obtained amido-cationic surfactants were named C12Bn, C14Bn and C16Bn and the general procedure for the synthesis is depicted in Scheme 1.

Reference： [1]RSC Advances,2016,vol. 6,p. 39784 - 39800
[2]Journal of Surfactants and Detergents,2016,vol. 19,p. 501 - 510

22
[ 45267-19-4 ]
[ 79-11-8 ]
2-[dimethyl-[3-(tetradecanoylamino)propyl]azaniumyl]acetate [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
	With sodium hydroxide; In water; at 80 - 105℃; for 9h;pH 8.5 - 12;	(3) 1mol PKO and 1.07mol chloroacetic acid and 572g deionized water were added to a three-necked flask,Then add 50g of 32% sodium hydroxide solution, Stir and raise the temperature to 80 C, Control the temperature at 80~90 deg.C, pH 8.5 to 9.5 by adding 32% sodium hydroxide solution 75 g, After completion of addition, maintain 3h, Add 32% sodium hydroxide solution 15 grams, Raise the pH to 12, Increase the temperature to 105 deg.C, Maintain for 6 hours,The reaction is completed,Reduce the temperature to 50 deg.C, With citric acid and pH to 5~7, Add deionized water to adjust the solid content of 35% measure the free acid content of the product is 0.28%.

Reference： [1]Patent: CN106496059,2017,A .Location in patent: Paragraph 0029; 0032

23
[ 45267-19-4 ]
[ 3926-62-3 ]
2-[dimethyl-[3-(tetradecanoylamino)propyl]azaniumyl]acetate [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
94.86%	In water; isopropyl alcohol; at 80℃; for 6h;pH 7 - 8;	2) Quaternization reaction: 92.3131.26g was added to a three-necked flask equipped with a reflux condenser.Myristyl propyl dimethyl tertiary amine and 13.40 g of sodium chloroacetate(The molar ratio of myristamide propyl dimethyl tertiary amine to sodium chloroacetate is 1: 1.15), add 30.50g of water to dissolve sodium chloroacetate exactly,Add 15.25g of isopropanol and adjust the pH between 7 and 8.The quaternization reaction was carried out by heating to 80 C, and the free amine value was measured every hour. After 6 hours, the conversion rate was no longer increased, and the reaction was stopped to obtain a crude product.Rotary evaporation to remove isopropanol and water from the crude product.Then add 3 volumes of isopropyl alcohol to dissolve and filter to remove unreacted sodium chloroacetate.Final rotary evaporation to recover isopropanol,Getting myristyl propyl lysine,That is, the betaine type amphoteric surfactant of the present invention has a yield of 94.86%.

Reference： [1]Patent: CN106800520,2018,B .Location in patent: Paragraph 0059; 0062

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Technical Information

• 1,4-Addition of an Amine to a Conjugated Enone • 1,4-Addition of an Amine to a Conjugated Enone • Acyl Group Substitution • Amide Hydrolysis • Amide Hydrolysis • Amides Can Be Converted into Aldehydes • Amine Synthesis from Nitriles • Amine Synthesis from Nitriles • Amines Convert Acyl Chlorides into Amides • Amines Convert Esters into Amides • Azide Reduction by LiAlH4 • Azide Reduction by LiAlH4 • Basicity of Amines • Buchwald-Hartwig C-N Bond and C-O Bond Formation Reactions • Chan-Lam Coupling Reaction • Chichibabin Reaction • Complex Metal Hydride Reductions • Diazotization Reaction • DIBAL Attack Nitriles to Give Ketones • Enamine Formation • Formation of an Amide from an Amine and a Carboxylic Acid • Formation of an Amide from an Amine and a Carboxylic Acid • Heat of Combustion • Hemiaminal Formation from Amines and Aldehydes or Ketones • Hemiaminal Formation from Amines and Aldehydes or Ketones • Hofmann Elimination • Hofmann Rearrangement • Hydride Reductions • Hydrolysis of Imines to Aldehydes and Ketones • Imine Formation from Amines and Aldehydes or Ketones • Lawesson's Reagent • Leuckart-Wallach Reaction • Mannich Reaction • Methylation of Ammonia • Methylation of Ammonia • Nitrosation of Amines • Peptide Bond Formation with DCC • Petasis Reaction • Preparation of Amines • Preparation of LDA • Reactions of Amines • Reduction of an Amide to an Amine • Reduction of an Amide to an Amine • Reductive Amination • Reductive Amination • Ring Opening of Azacyclopropanes • Ring Opening of Azacyclopropanes • Ring Opening of Oxacyclobutanes • Specialized Acylation Reagents-Carbodiimides and Related Reagents • Specialized Acylation Reagents-Ketenes • Specialized Acylation Reagents-Vilsmeier Reagent • Strecker Synthesis • Synthesis of 2-Amino Nitriles • Ugi Reaction

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Ghs Precautionary Statements

Precautionary Statements-General
Code	Phrase
P101	If medical advice is needed,have product container or label at hand.
P102	Keep out of reach of children.
P103	Read label before use
Prevention
Code	Phrase
P201	Obtain special instructions before use.
P202	Do not handle until all safety precautions have been read and understood.
P210	Keep away from heat/sparks/open flames/hot surfaces. - No smoking.
P211	Do not spray on an open flame or other ignition source.
P220	Keep/Store away from clothing/combustible materials.
P221	Take any precaution to avoid mixing with combustibles
P222	Do not allow contact with air.
P223	Keep away from any possible contact with water, because of violent reaction and possible flash fire.
P230	Keep wetted
P231	Handle under inert gas.
P232	Protect from moisture.
P233	Keep container tightly closed.
P234	Keep only in original container.
P235	Keep cool
P240	Ground/bond container and receiving equipment.
P241	Use explosion-proof electrical/ventilating/lighting/equipment.
P242	Use only non-sparking tools.
P243	Take precautionary measures against static discharge.
P244	Keep reduction valves free from grease and oil.
P250	Do not subject to grinding/shock/friction.
P251	Pressurized container: Do not pierce or burn, even after use.
P260	Do not breathe dust/fume/gas/mist/vapours/spray.
P261	Avoid breathing dust/fume/gas/mist/vapours/spray.
P262	Do not get in eyes, on skin, or on clothing.
P263	Avoid contact during pregnancy/while nursing.
P264	Wash hands thoroughly after handling.
P265	Wash skin thouroughly after handling.
P270	Do not eat, drink or smoke when using this product.
P271	Use only outdoors or in a well-ventilated area.
P272	Contaminated work clothing should not be allowed out of the workplace.
P273	Avoid release to the environment.
P280	Wear protective gloves/protective clothing/eye protection/face protection.
P281	Use personal protective equipment as required.
P282	Wear cold insulating gloves/face shield/eye protection.
P283	Wear fire/flame resistant/retardant clothing.
P284	Wear respiratory protection.
P285	In case of inadequate ventilation wear respiratory protection.
P231 + P232	Handle under inert gas. Protect from moisture.
P235 + P410	Keep cool. Protect from sunlight.
Response
Code	Phrase
P301	IF SWALLOWED:
P304	IF INHALED:
P305	IF IN EYES:
P306	IF ON CLOTHING:
P307	IF exposed:
P308	IF exposed or concerned:
P309	IF exposed or if you feel unwell:
P310	Immediately call a POISON CENTER or doctor/physician.
P311	Call a POISON CENTER or doctor/physician.
P312	Call a POISON CENTER or doctor/physician if you feel unwell.
P313	Get medical advice/attention.
P314	Get medical advice/attention if you feel unwell.
P315	Get immediate medical advice/attention.
P320
P302 + P352	IF ON SKIN: wash with plenty of soap and water.
P321
P322
P330	Rinse mouth.
P331	Do NOT induce vomiting.
P332	IF SKIN irritation occurs:
P333	If skin irritation or rash occurs:
P334	Immerse in cool water/wrap n wet bandages.
P335	Brush off loose particles from skin.
P336	Thaw frosted parts with lukewarm water. Do not rub affected area.
P337	If eye irritation persists:
P338	Remove contact lenses, if present and easy to do. Continue rinsing.
P340	Remove victim to fresh air and keep at rest in a position comfortable for breathing.
P341	If breathing is difficult, remove victim to fresh air and keep at rest in a position comfortable for breathing.
P342	If experiencing respiratory symptoms:
P350	Gently wash with plenty of soap and water.
P351	Rinse cautiously with water for several minutes.
P352	Wash with plenty of soap and water.
P353	Rinse skin with water/shower.
P360	Rinse immediately contaminated clothing and skin with plenty of water before removing clothes.
P361	Remove/Take off immediately all contaminated clothing.
P362	Take off contaminated clothing and wash before reuse.
P363	Wash contaminated clothing before reuse.
P370	In case of fire:
P371	In case of major fire and large quantities:
P372	Explosion risk in case of fire.
P373	DO NOT fight fire when fire reaches explosives.
P374	Fight fire with normal precautions from a reasonable distance.
P376	Stop leak if safe to do so. Oxidising gases (section 2.4) 1
P377	Leaking gas fire: Do not extinguish, unless leak can be stopped safely.
P378
P380	Evacuate area.
P381	Eliminate all ignition sources if safe to do so.
P390	Absorb spillage to prevent material damage.
P391	Collect spillage. Hazardous to the aquatic environment
P301 + P310	IF SWALLOWED: Immediately call a POISON CENTER or doctor/physician.
P301 + P312	IF SWALLOWED: call a POISON CENTER or doctor/physician IF you feel unwell.
P301 + P330 + P331	IF SWALLOWED: Rinse mouth. Do NOT induce vomiting.
P302 + P334	IF ON SKIN: Immerse in cool water/wrap in wet bandages.
P302 + P350	IF ON SKIN: Gently wash with plenty of soap and water.
P303 + P361 + P353	IF ON SKIN (or hair): Remove/Take off Immediately all contaminated clothing. Rinse SKIN with water/shower.
P304 + P312	IF INHALED: Call a POISON CENTER or doctor/physician if you feel unwell.
P304 + P340	IF INHALED: Remove victim to fresh air and Keep at rest in a position comfortable for breathing.
P304 + P341	IF INHALED: If breathing is difficult, remove victim to fresh air and keep at rest in a position comfortable for breathing.
P305 + P351 + P338	IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing.
P306 + P360	IF ON CLOTHING: Rinse Immediately contaminated CLOTHING and SKIN with plenty of water before removing clothes.
P307 + P311	IF exposed: call a POISON CENTER or doctor/physician.
P308 + P313	IF exposed or concerned: Get medical advice/attention.
P309 + P311	IF exposed or if you feel unwell: call a POISON CENTER or doctor/physician.
P332 + P313	IF SKIN irritation occurs: Get medical advice/attention.
P333 + P313	IF SKIN irritation or rash occurs: Get medical advice/attention.
P335 + P334	Brush off loose particles from skin. Immerse in cool water/wrap in wet bandages.
P337 + P313	IF eye irritation persists: Get medical advice/attention.
P342 + P311	IF experiencing respiratory symptoms: call a POISON CENTER or doctor/physician.
P370 + P376	In case of fire: Stop leak if safe to Do so.
P370 + P378	In case of fire:
P370 + P380	In case of fire: Evacuate area.
P370 + P380 + P375	In case of fire: Evacuate area. Fight fire remotely due to the risk of explosion.
P371 + P380 + P375	In case of major fire and large quantities: Evacuate area. Fight fire remotely due to the risk of explosion.
Storage
Code	Phrase
P401
P402	Store in a dry place.
P403	Store in a well-ventilated place.
P404	Store in a closed container.
P405	Store locked up.
P406	Store in corrosive resistant/ container with a resistant inner liner.
P407	Maintain air gap between stacks/pallets.
P410	Protect from sunlight.
P411
P412	Do not expose to temperatures exceeding 50 oC/ 122 oF.
P413
P420	Store away from other materials.
P422
P402 + P404	Store in a dry place. Store in a closed container.
P403 + P233	Store in a well-ventilated place. Keep container tightly closed.
P403 + P235	Store in a well-ventilated place. Keep cool.
P410 + P403	Protect from sunlight. Store in a well-ventilated place.
P410 + P412	Protect from sunlight. Do not expose to temperatures exceeding 50 oC/122oF.
P411 + P235	Keep cool.
Disposal
Code	Phrase
P501	Dispose of contents/container to ...
P502	Refer to manufacturer/supplier for information on recovery/recycling

Purity	Size	Price	VIP Price	USA Stock *0-1 Day	Global Stock *5-7 Days	Quantity
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Physical hazards
Code	Phrase
H200	Unstable explosive
H201	Explosive; mass explosion hazard
H202	Explosive; severe projection hazard
H203	Explosive; fire, blast or projection hazard
H204	Fire or projection hazard
H205	May mass explode in fire
H220	Extremely flammable gas
H221	Flammable gas
H222	Extremely flammable aerosol
H223	Flammable aerosol
H224	Extremely flammable liquid and vapour
H225	Highly flammable liquid and vapour
H226	Flammable liquid and vapour
H227	Combustible liquid
H228	Flammable solid
H229	Pressurized container: may burst if heated
H230	May react explosively even in the absence of air
H231	May react explosively even in the absence of air at elevated pressure and/or temperature
H240	Heating may cause an explosion
H241	Heating may cause a fire or explosion
H242	Heating may cause a fire
H250	Catches fire spontaneously if exposed to air
H251	Self-heating; may catch fire
H252	Self-heating in large quantities; may catch fire
H260	In contact with water releases flammable gases which may ignite spontaneously
H261	In contact with water releases flammable gas
H270	May cause or intensify fire; oxidizer
H271	May cause fire or explosion; strong oxidizer
H272	May intensify fire; oxidizer
H280	Contains gas under pressure; may explode if heated
H281	Contains refrigerated gas; may cause cryogenic burns or injury
H290	May be corrosive to metals
Health hazards
Code	Phrase
H300	Fatal if swallowed
H301	Toxic if swallowed
H302	Harmful if swallowed
H303	May be harmful if swallowed
H304	May be fatal if swallowed and enters airways
H305	May be harmful if swallowed and enters airways
H310	Fatal in contact with skin
H311	Toxic in contact with skin
H312	Harmful in contact with skin
H313	May be harmful in contact with skin
H314	Causes severe skin burns and eye damage
H315	Causes skin irritation
H316	Causes mild skin irritation
H317	May cause an allergic skin reaction
H318	Causes serious eye damage
H319	Causes serious eye irritation
H320	Causes eye irritation
H330	Fatal if inhaled
H331	Toxic if inhaled
H332	Harmful if inhaled
H333	May be harmful if inhaled
H334	May cause allergy or asthma symptoms or breathing difficulties if inhaled
H335	May cause respiratory irritation
H336	May cause drowsiness or dizziness
H340	May cause genetic defects
H341	Suspected of causing genetic defects
H350	May cause cancer
H351	Suspected of causing cancer
H360	May damage fertility or the unborn child
H361	Suspected of damaging fertility or the unborn child
H361d	Suspected of damaging the unborn child
H362	May cause harm to breast-fed children
H370	Causes damage to organs
H371	May cause damage to organs
H372	Causes damage to organs through prolonged or repeated exposure
H373	May cause damage to organs through prolonged or repeated exposure
Environmental hazards
Code	Phrase
H400	Very toxic to aquatic life
H401	Toxic to aquatic life
H402	Harmful to aquatic life
H410	Very toxic to aquatic life with long-lasting effects
H411	Toxic to aquatic life with long-lasting effects
H412	Harmful to aquatic life with long-lasting effects
H413	May cause long-lasting harmful effects to aquatic life
H420	Harms public health and the environment by destroying ozone in the upper atmosphere

[ CAS No. 45267-19-4 ] {[proInfo.proName]}

Quality Control of [ 45267-19-4 ]

Related Doc. of [ 45267-19-4 ]

Product Details of [ 45267-19-4 ]

Calculated chemistry of [ 45267-19-4 ] Expand+

Physicochemical Properties

Pharmacokinetics

Lipophilicity

Druglikeness

Water Solubility

Medicinal Chemistry

Safety of [ 45267-19-4 ]

Application In Synthesis of [ 45267-19-4 ]

[ 45267-19-4 ] Synthesis Path-Downstream 1~23

Technical Information

Related Functional Groups of [ 45267-19-4 ]

Aliphatic Chain Hydrocarbons

Amides

Amines

Precautionary Statements-General

Prevention

Response

Storage

Disposal

Physical hazards

Health hazards

Environmental hazards

Inquiry

Related Functional Groups of
[ 45267-19-4 ]