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CAS No. : | 29840-57-1 | MDL No. : | MFCD12546205 |
Formula : | C7H16ClNO2 | Boiling Point : | - |
Linear Structure Formula : | - | InChI Key : | JELXJZASXLHKDV-UHFFFAOYSA-N |
M.W : | 181.66 | Pubchem ID : | 16094861 |
Synonyms : |
|
Num. heavy atoms : | 11 |
Num. arom. heavy atoms : | 0 |
Fraction Csp3 : | 0.86 |
Num. rotatable bonds : | 6 |
Num. H-bond acceptors : | 3.0 |
Num. H-bond donors : | 1.0 |
Molar Refractivity : | 46.72 |
TPSA : | 52.32 Ų |
GI absorption : | High |
BBB permeant : | Yes |
P-gp substrate : | No |
CYP1A2 inhibitor : | No |
CYP2C19 inhibitor : | No |
CYP2C9 inhibitor : | No |
CYP2D6 inhibitor : | No |
CYP3A4 inhibitor : | No |
Log Kp (skin permeation) : | -6.51 cm/s |
Log Po/w (iLOGP) : | 0.0 |
Log Po/w (XLOGP3) : | 1.27 |
Log Po/w (WLOGP) : | 1.48 |
Log Po/w (MLOGP) : | 1.08 |
Log Po/w (SILICOS-IT) : | 0.74 |
Consensus Log Po/w : | 0.91 |
Lipinski : | 0.0 |
Ghose : | None |
Veber : | 0.0 |
Egan : | 0.0 |
Muegge : | 1.0 |
Bioavailability Score : | 0.55 |
Log S (ESOL) : | -1.37 |
Solubility : | 7.74 mg/ml ; 0.0426 mol/l |
Class : | Very soluble |
Log S (Ali) : | -1.97 |
Solubility : | 1.96 mg/ml ; 0.0108 mol/l |
Class : | Very soluble |
Log S (SILICOS-IT) : | -1.6 |
Solubility : | 4.57 mg/ml ; 0.0252 mol/l |
Class : | Soluble |
PAINS : | 0.0 alert |
Brenk : | 0.0 alert |
Leadlikeness : | 1.0 |
Synthetic accessibility : | 1.53 |
Signal Word: | Warning | Class: | N/A |
Precautionary Statements: | P261-P305+P351+P338 | UN#: | N/A |
Hazard Statements: | H315-H319-H335 | Packing Group: | N/A |
GHS Pictogram: |
* 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.
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
In acetic acid; ethyl acetate; | (a) 5-(tetrazol-1-yl)-valeric acid ethyl ester 13 g of sodium azide and 59 ml of triethyl orthoformate are added to a solution of 13.4 g of 5-amino-valeric acid ethyl ester hydrochloride in 89 ml of acetic acid and the whole is stirred for 6 hours at 100. The reaction mixture is cooled and partitioned betwen ethyl acetate and water. The organic phase is washed several times with saturated sodium bicarbonate solution and once with brine and, after drying over sodium sulphate, is concentrated. After purification by chromatography over silica gel (eluant: toluene/ethyl acetate 4:1 to 7:3), the pure title compound is obtained. Rf (toluene/ethyl acetate 1:1); 0.32. IR (CH2 Cl2): 2950, 1725 cm-1. |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
With triethylamine; In formic acid ethyl ester; | (1aa) 5-(N-formylamino)-valeric acid ethyl ester 1.4 ml of triethylamine are added to 1.8 g of <strong>[29840-57-1]5-aminovaleric acid ethyl ester hydrochloride</strong> in 40 ml of formic acid ethyl ester and the whole is then heated under reflux for 2 hours. The precipitate is filtered off, washed with a small quantity of formic acid ethyl ester and concentrated by evaporation under reduced pressure in a rotary evaporator. The residue is partitioned between methylene chloride and sodium bicarbonate solution, and the organic phase is then washed with brine, dried and concentrated by evaporation. The title compound is obtained in the form of an oil. IR (methylene chloride): 5.78, 5.92, 6.64 mum. |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
With thionyl chloride; In potassium hydroxide; diethyl ether; ethanol; | EXAMPLE 5 Preparation of ethyl 5-aminopentanoate hydrochloride To 100 ml of absolute ethanol, stirred under a dry nitrogen atmosphere and cooled in an ice bath, was added 12.0 ml (167 mmole) of thionyl chloride, followed by 10.0 gm (85.3 mmole) of 5-aminopentanoic acid. The mixture was heated at reflux for 18 hours, cooled and concentrated in vacuo to a sticky solid. The crude ester was triturated with 150 ml of diethyl ether, and the resultant fluffy white solid was collected, washed thoroughly with diethyl ether, and dried in vacuo over potassium hydroxide to give 14.3 gm (78.7 mmole) of ethyl 5-aminopentanoate hydrochloride. The ester was sufficiently pure according to nmr spectroscopy (in (CD3)2 SO) for subsequent use without further purification. | |
A. Ethyl-5-aminovalerate hydrochloride Hydrogen chloride was bubbled into 100 ml of dry ethanol (sieve-dried) cooled in an ice bath until saturated then 25.0 g (214 mmol) of 5-aminovaleric acid was added. The resulting slurry was warmed to room temperature and stirred for 18 hours. Argon was bubbled into the reaction mixture for several hours to remove excess HCl and the resulting solution concentrated in vacuo to ~1/2 volume. The slurry which formed was warmed until homogeneous, 200 ml of ether was added and the solution cooled overnight in refrigerator. The crystals which formed were collected on a Buchner funnel, washed several times with ether and dried under vacuum to afford 32.3 gr (83%) of title compound as flaky, white plates, m.p. 109-110. 60 MHz 1 H NMR (CDCl3) delta 1.25 (t, J=7, 3H); delta1.55-2.20 (broad, 4H); 2.37 (m, 2H); 3.07 (broad, 2H); 4.12 (q, J=7, 2H); 8.25 (broad, 3H); |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
With tributyl-amine; In ethanol; | EXAMPLE 2 Preparation of N6 -[4-(ethoxycarbonyl)butyl]adenosine A mixture of 10.0 g (34.9 mmole) of 6-chloropurine riboside, 9.5 g (52.3 mmole) of ethyl-5-aminopentanoate hydrochloride (prepared by the method of Example 7), and 18.0 g (97.1 mmole) of tributylamine in 200 ml of absolute ethanol was heated at reflux for 18 hours, then allowed to cool to about 0 C. The resulting crude product was collected and washed with ethanol, redissolved in 100 ml of boiling ethanol and filtered. Upon cooling, two crops of N6 -[4-(ethoxycarbonyl)butyl]adenosine totalling 7.9 g (20.0 mmole) were collected as a fluffy white powder. Anal. Calcd for C17 H25 N5 O6: C, 51.64; H, 6.37; N, 17.71. Found: C, 51.41; H, 6.45; N, 17.68. |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
With triethylamine; In tetrahydrofuran; | EXAMPLE 7 5-[[(4-Decyl-2-pyridinyl)carbonyl]amino]pentanoic acid, ethyl ester A solution of 0.50 g (1.9 mmol) of 4-decyl-2-pyridinecarboxylic acid prepared as described in Example 1 Parts A to E and 20 ml of THF was cooled to 0 C. and 0.18 ml (1.9 mmol, 1 eq) of diethyl chlorophosphate was added, followed by 0.27 ml (1.9 mmol, 1 eq) of triethylamine. The reaction was warmed to room temperature and stirred for 1 hour. To this solution was added 0.38 g (2.09 mmol, 1.1 eq) of <strong>[29840-57-1]ethyl 5-aminovalerate hydrochloride</strong> (prepared by bubbling hydrogen chloride into an ethanol solution of 5-aminovaleric acid then diluting with ether and collecting the precipitated solid) followed by 0.29 ml (2.1 mmol, 1.1 eq) of triethylamine. The reaction was stirred for 6 hours at room temperature and filtered through a column of basic alumina (activity I), eluding with EtOAc. Purification was accomplished via flash chromatography (silica gel, 1:7 EtOAc/hexanes) to yield 0.39 g (53%) of title ester as a yellow oil. IR (0.2 mm cells, CCl4) 3401, 2928, 2856, 1736, 1679, 1605, 1524, 1464 cm-1. 270 MHz 1 H NMR (CDCl3) delta 0.88 (m, 3H, --(CH2)9 --CH3); delta 1.25 (m, 15H, --CO2 --CH2 --CH3, --(CH2)6 --CH2); 1.69 (br m, 6H, --NHCH2 --(CH2)2 --CH2 --, --CH2 --CH2 (CH2)7 --CH3); 2.35 (crude t, 2H, --CH2 CO2 Et); 2.68 (t, J=7 Hz, 2H, --CH2 (CH2)8 --CH3); 3.40 (dt, J=7 Hz, 2H, --NHCH2); 4.14 (q, J=7 Hz, 2H, --CO2 CH2 CH3); 7.23 (d, J=5 Hz, 1H, ring H5); 8.04 (s, 1H, ring H2); 8.09 (br s, 1 H, --NH--); 8.41 (d, J=5 Hz, 1H, ring H6). TLC: Rf (silica gel, 1:9 MeOH/CH2 Cl2)=0.59, UV, PMA. Microanalysis Calcd for C23 H38 N2 O3: C, 70.73; H, 9.82; N, 7.17. Found: C, 71.06; H, 9.96; N, 7.19. |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
EXAMPLE 32 5-[[[5-(Decyloxy)-2-pyridinyl]carbonyl]amino]pentanoic acid Following the procedure of Examples 22 and 23 except substituting 5-chloropyridine N-oxide for 4-chloropyridine N-oxide, decyl alcohol for nonyl alcohol, and substituting <strong>[29840-57-1]ethyl 5-aminovalerate hydrochloride</strong> for ethyl 4-aminobutyrate hydrochloride, the title compound is obtained. |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
With potassium carbonate; triethylamine; In chloroform; at 20℃; for 4h; | Potassium carbonate (66.23 g, 0.479 mol), triethylamine (167 mL, 1.20 mol), and <strong>[29840-57-1]ethyl 5-aminovalerate hydrochloride</strong> (104 g, 0.575 mol) were added to a mixture of 4-chloro-3-nitroquinoline (100 g, 0.470 mol) in chloroform (1 L). The reaction mixture was stirred at room temperature for 4 hours, then water (200 mL) was added. The mixture was transferred to a separatory funnel and the layers were separated. The organic layer was washed with saturated aqueous sodium bicarbonate and brine, dried over magnesium sulfate, filtered, and concentrated under reduced pressure to afford 151 g of ethyl 5- [ (3-nitroquinolin- 4-yl) amino] pentanoate. |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
With triethylamine; In ethanol; for 0.666667h;Reflux; | 5-Benzoyl-6-(bromomethyl)-1,3-dimethylpyrimidine-2,4(1H,3H)-dione (Intermediate C) (1.38 g, 4.09 mmol), <strong>[29840-57-1]ethyl 5-aminovalerate hydrochloride</strong> (1.109 g, 6.14 mmol) and triethylamine (1.711 mL, 12.28 mmol) were combined in ethanol (20 mL) and the mixture heated at reflux for 40 mins. The reaction mixture was cooled to room temperature and evaporated under vacuum. The residue was partitioned between water and DCM and the phases separated. The organic phase was passed through a hydrophobic frit and evaporated onto silica. The silica was deposited onto a 25 g silica cartridge and the system eluted with 20% EtOAc/hexane, 40% EtOAc/hexane, 60% EtOAc/hexane and 80% EtOAc/hexane. The product fractions were combined and concentrated under reduced pressure to afford the title compound; [1714] LC-MS: Rt 1.29 mins; MS 384.3 m/z [M+H] Method 2minLowpHv03 [1715] 1H NMR (400 MHz, CDCl3) delta 7.54-7.37 (5H, mult), 6.41 (1H, br s), 4.12 (2H, q), 3.93 (2H, t), 3.44 (3H, s), 3.36 (3H, s), 2.22 (2H, t), 1.74 (2H, mult), 1.53 (2H, mult), 1.26 (3H, t) |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
75% | Example 167ethyl 5-[(5-{4-[4-([(2-fluoro-5-methylphenyl)amino]carbonyl}amino)phenoxy]pyridin-2-yl}- 1H-pyrrol-3-yl)carbonyl]amino}pentanoateA mixture of 5-{4-[4-([(2-fluoro-5-methylphenyl)amino]carbonyl}amino)phenoxy]pyridin-2- yl}-1H-pyrrole-3-carboxylic acid (300mg, 0.67mmol), HATU (281mg, 0.74mmol) and N,N- diisopropylethylamine (258mg, 2.0mmol) in anhydrous DMF (10ml) was stirred at room temperature for 10 minutes, followed by addition of <strong>[29840-57-1]ethyl 5-aminovalerate hydrochloride</strong> (145mg, 0.80mmol). The mixture was stirred for another 10 minutes and poured into 100ml of water. 2M HCl was added dropwise until pH = 4. The precipitates were filtered, washed with water and dried in vacuo to give the crude, which was purified by silica gel chromatography eluting with 3~5% of methanol in chloroform to give ethyl 5-[(5-{4-[4-([(2-fluoro-5- methylphenyl)amino]carbonyl}amino)phenoxy]pyridin-2-yl}-1H-pyrrol-3- yl)carbonyl]amino}pentanoate as white solid. Yield: 288mg, 75%. 1H NMR (DMSO-d6): 11.79 (t, J = 3.1 Hz, 1H), 9.17 (s, 1H), 8.49 (d, J = 2.9 Hz, 1H), 8.38 (d, J = 5.6 Hz, 1H), 7.98 (dd, J = 8.1, 2.2 Hz, 1H), 7.84 (t, J = 5.9 Hz, 1H), 7.55 - 7.58 (m, 2H), 7.35 (dd, J = 3.2, 1.8 Hz, 1H), 7.14 - 7.17 (m, 3H), 7.11 (dd, J = 11.3, 8.4 Hz, 1H), 7.05 (dd, J = 2.6, 1.8 Hz, 1H), 6.79 - 6.82 (m, 1H), 6.70 - 6.72 (m, 1H), 4.03 (q, J = 7.2 Hz, 2H), 3.15 - 3.18 (m, 2H), 2.30 (t, J = 7.3 Hz, 2H), 2.27 (s, 3H), 1.51 - 1.56 (m, 2H), 1.44 - 1.50 (m, 2H), 1.16 (t, J = 7.2 Hz, 3H) LR MS (ES+): 574 (MH+) LR MS (ES-): 572 (M-H) |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
60% | With triethylamine; In nitromethane; at 60℃; | Method C . The product 17 was purified by column chromatography (CH2Cl2:Et20 - 40:1) and obtained as a viscous pale-yellow oil (130 mg, 60%) . 1H MR (500 MHz, CDC13) delta 7.96 (d, J = 2.1 Hz, 1H) , 7.50 - 7.34 (m, 5H) , 7.30 (dd, J = 7.2, 1.8 Hz, 1H) , 5.00 (s, 1H) , 4.11 (q, J = 7.1 Hz, 2H) , 3.36 (s, 3H) , 2.48 (t, J = 7.0 Hz, 2H) , 2.27 (t, J = 7.4 Hz, 2H) , 1.70 - 1.58 (m, 2H) , 1.52 (ddd, J = 11.9, 7.0, 3.7 Hz, 2H) , 1.24 (t, J = 7.1 Hz, 3H) ; 13C NMR (126 MHz , CDC13) delta 173.6, 140.4, 138.7, 136.8, 134.5, 132.4, 131.4, 130.3, 129.5, 128.6, 128.2, 128.1, 66.3, 60.4, 47.8, 38.9, 34.2, 29.6, 22.8, 14.4; LR-MS calcd. for C21H26CIN2O4S [M+H]+ 437.13, found 437.51. |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
58% | With benzotriazol-1-ol; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; triethylamine; In dichloromethane; at 0 - 20℃; | General procedure: To a stirred solution of the 2-hydroxyacid 21a-e (1.0 mmol) and the amine (1.0 mmol) in CH2Cl2 (10 mL), Et3N (0.3 mL,2.2 mmol in case of hydrochloride salt of the amine or 0.15 mL, 1.1 mmol in case of free amine) and subsequently 1-(3-dimethylaminopropyl)-3-ethyl carbodiimide hydrochloride (WSCI) (0.21 g, 1.1 mmol) and 1-hydroxybenzotriazole (HOBt) (0.14 g,1.0 mmol) were added at 0 C. The reaction mixture was stirred for 1 h at 0 C and overnight at room temperature. The solvent was evaporated under reduced pressure and EtOAc (20 mL) wasadded. The organic layer was washed consecutively with brine, 1 N HCl, brine, 5% NaHCO3, and brine, dried over Na2SO4 and evaporated under reduced pressure. The residue was purified by column chromatography using CH2Cl2/MeOH 99:1 as eluent. |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
General procedure: To a solution of 2 (300 mg, 0.29 mmol) in anhydrous DCM (15 mL) was added oxalyl chloride (0.1 mL, 1.17 mmol), and thesolution was stirred at rt for 6 h. The solvent and remaining oxalylchloride was removed under vacuum to give the intermediate,which was dissolved in anhydrous DCM (10 mL) with ethyl glycylglycinatehydrochloride (33 mg, 0.55 mmol) and triethylamine(84 mg, 0.831 mmol). The solution was stirred at rt overnight, andthen diluted with DCM (50 mL), washed with brine (30 mL 3) anddried over anhydrous Na2SO4. After filtration, the filtrate wasconcentrated, the residuewas dissolved in a mixture of MeOH/THF/H2O(2:1:1, 20 mL) and then potassium hydroxide (187 mg,3.32 mmol) was added. This mixture was stirred at rt overnight.After reaction completion, the organic solvent was removed undervacuum and the residue was diluted with n-butyl alcohol (50 mL).Then, the pH of solution was adjusted to pH 4e5 by 10% HCl. Theorganic layer was washed with brine (30 mL 3) and dried overanhydrous Na2SO4. After being filtered, the filtrate was concentratedand purified on a silica gel column (30 g, DCM-MeOH 12:1) togive 12 (147 mg, overall yield 61%) as a white solid |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
5% | [00777] To a solution of 5-methyl-l-{4-oxo-3H,4H,5H,6H,7H-cyclopenta[d]pyrimidin-2- yl}-lH-pyrazole-4-carbaldehyde (EV-AQ7158-001, 80%, 90 mg, 0.295 mmol) in anhydrous MeOH (3 mL) was added <strong>[29840-57-1]ethyl 5-aminopentanoate hydrochloride</strong> (59 mg, 0.324 mmol) and Et3N (164 mu, 1.179 mmol) and stirred at r.t. for 1 h. To the reaction mixture was added NaBH4 (13 mg, 0.354 mmol) and stirred at 45 C for 16 h. The reaction mixture was stirred at 50 C for a further 3 h. The reaction mixture was cooled to r.t. and diluted with water (10 mL). The aqueous mixture was then acidified to pH 4 using 5 M aq HC1 solution and extracted with EtOAc (2 x 30 mL). The combined extracts were dried over sodium sulfate, concentrated in vacuo and purified via PREP-HPLC (Method G) to afford the title compound (5 mg, 5%) as an off white powder. [00778] Method C: LC-MS m/z = 328.1 [M + H]+; RT = 2.19 min. |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
1.41 g | Step i. DMF (30 mL) and ethyl-5-bromovalerate (S4) (1.5 mL, 9.48 mmol) were added to NaN3 (1.880 g, 28.92 mmol) maintained under N2. The ensuing mixture was magnetically stirred for 18 then H2O (30 mL) was added. The aqueous phase was extracted with Et2O (4x 30 mL) and the organic extracts were combined and successively washed with H2O (3x 20 mL) and brine (2x 30 mL). The organic extracts were then dried (MgSO4), filtered, and concentrated under reduced pressure to provide a pale-yellow crude residue containing compound S5 (1.90 g). Compound S5 was not purified, but immediately subject to the reaction outlined below. Step ii. HCl (1.6 mL of a 10 M aqueous solution) and 5% Pd/C (250 mg, 0.12 mmol, 1.2%) were added toa solution of compound S5 in EtOH (60 mL). The ensuing mixture was reacted under H2 in a Parr shaker hydrogenator (33 psi). After 1 h, the mixture was filtered through as plug of Celite then concentrated under reduced pressure to provide a compound S6 (2.63 g) as a colourless solid. Compound S6 was not purified, but immediately subject to the reaction outlined below. Step iii. Glacial acetic acid (380 muL, 6.66 mmol) was added to a magnetically stirred solution of 2,5-dimethoxytetrahydrofuran (1.70 mL, 13.1 mmol) in H2O (30 mL) and ensuing solution was heated at reflux under N2. After 2.5 h, the magnetically stirred solution was cooled to r.t. and CH2Cl2 (35 mL) and NaOAc (1.37 g, 16.6 mmol) and compound S6 (as a 15 mL aqueous solution) were added; the flask waswrapped in foil to exclude light. After 18 h, the pH of the aqueous phase was adjusted to ~9 with Na2CO3 (saturated aqueous solution) and the phases separated. The aqueous phase was further extracted with CH2Cl2 (4x 30 mL), the organic extracts were combined, dried (MgSO4) and passed through a plug ofsilica gel (CH2Cl2 elution) to provide pyrrole S7 (1.41 g, 7.20 mmol, 76% yield over 3 steps) as a colourless oil. |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
With hydrogenchloride; 5%-palladium/activated carbon; hydrogen; In ethanol; water; under 1706.63 Torr; for 1h; | Step i. DMF (30 mL) and ethyl-5-bromovalerate (S4) (1.5 mL, 9.48 mmol) were added to NaN3 (1.880 g, 28.92 mmol) maintained under N2. The ensuing mixture was magnetically stirred for 18 then H2O (30 mL) was added. The aqueous phase was extracted with Et2O (4x 30 mL) and the organic extracts were combined and successively washed with H2O (3x 20 mL) and brine (2x 30 mL). The organic extracts were then dried (MgSO4), filtered, and concentrated under reduced pressure to provide a pale-yellow crude residue containing compound S5 (1.90 g). Compound S5 was not purified, but immediately subject to the reaction outlined below. Step ii. HCl (1.6 mL of a 10 M aqueous solution) and 5% Pd/C (250 mg, 0.12 mmol, 1.2%) were added toa solution of compound S5 in EtOH (60 mL). The ensuing mixture was reacted under H2 in a Parr shaker hydrogenator (33 psi). After 1 h, the mixture was filtered through as plug of Celite then concentrated under reduced pressure to provide a compound S6 (2.63 g) as a colourless solid. Compound S6 was not purified, but immediately subject to the reaction outlined below. Step iii. Glacial acetic acid (380 muL, 6.66 mmol) was added to a magnetically stirred solution of 2,5-dimethoxytetrahydrofuran (1.70 mL, 13.1 mmol) in H2O (30 mL) and ensuing solution was heated at reflux under N2. After 2.5 h, the magnetically stirred solution was cooled to r.t. and CH2Cl2 (35 mL) and NaOAc (1.37 g, 16.6 mmol) and compound S6 (as a 15 mL aqueous solution) were added; the flask waswrapped in foil to exclude light. After 18 h, the pH of the aqueous phase was adjusted to ~9 with Na2CO3 (saturated aqueous solution) and the phases separated. The aqueous phase was further extracted with CH2Cl2 (4x 30 mL), the organic extracts were combined, dried (MgSO4) and passed through a plug ofsilica gel (CH2Cl2 elution) to provide pyrrole S7 (1.41 g, 7.20 mmol, 76% yield over 3 steps) as a colourless oil. |
Tags: 29840-57-1 synthesis path| 29840-57-1 SDS| 29840-57-1 COA| 29840-57-1 purity| 29840-57-1 application| 29840-57-1 NMR| 29840-57-1 COA| 29840-57-1 structure
[ 6937-16-2 ]
Ethyl 4-aminobutanoate hydrochloride
Similarity: 0.97
[ 1926-80-3 ]
Methyl 6-aminohexanoate hydrochloride
Similarity: 0.93
[ 29840-56-0 ]
Methyl 5-aminopentanoate hydrochloride
Similarity: 0.93
[ 58640-01-0 ]
tert-Butyl 4-aminobutanoate hydrochloride
Similarity: 0.85
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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 |
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 |
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