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[ CAS No. 2361974-00-5 ] {[proInfo.proName]}

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Cat. No.: {[proInfo.prAm]}
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Limited Quantity USD 15-60
Inaccessible (Haz class 6.1), Domestic USD 80+
Inaccessible (Haz class 6.1), International USD 150+
Accessible (Haz class 3, 4, 5 or 8), Domestic USD 100+
Accessible (Haz class 3, 4, 5 or 8), International USD 200+
3d Animation Molecule Structure of 2361974-00-5
Chemical Structure| 2361974-00-5
Chemical Structure| 2361974-00-5
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Quality Control of [ 2361974-00-5 ]

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Product Details of [ 2361974-00-5 ]

CAS No. :2361974-00-5 MDL No. :MFCD32269021
Formula : C7H11N2OP Boiling Point : -
Linear Structure Formula :- InChI Key :RLYMRIYBKJATEQ-UHFFFAOYSA-N
M.W : 170.15 Pubchem ID :146082337
Synonyms :

Calculated chemistry of [ 2361974-00-5 ]      Expand+

Physicochemical Properties

Num. heavy atoms : 11
Num. arom. heavy atoms : 6
Fraction Csp3 : 0.29
Num. rotatable bonds : 1
Num. H-bond acceptors : 2.0
Num. H-bond donors : 1.0
Molar Refractivity : 47.61
TPSA : 65.79 Ų

Pharmacokinetics

GI absorption : High
BBB permeant : No
P-gp substrate : No
CYP1A2 inhibitor : No
CYP2C19 inhibitor : No
CYP2C9 inhibitor : No
CYP2D6 inhibitor : No
CYP3A4 inhibitor : No
Log Kp (skin permeation) : -7.44 cm/s

Lipophilicity

Log Po/w (iLOGP) : 0.84
Log Po/w (XLOGP3) : -0.15
Log Po/w (WLOGP) : 0.92
Log Po/w (MLOGP) : -0.08
Log Po/w (SILICOS-IT) : 0.57
Consensus Log Po/w : 0.42

Druglikeness

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

Water Solubility

Log S (ESOL) : -1.14
Solubility : 12.4 mg/ml ; 0.0728 mol/l
Class : Very soluble
Log S (Ali) : -0.78
Solubility : 28.4 mg/ml ; 0.167 mol/l
Class : Very soluble
Log S (SILICOS-IT) : -2.45
Solubility : 0.601 mg/ml ; 0.00353 mol/l
Class : Soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 1.0 alert
Leadlikeness : 1.0
Synthetic accessibility : 3.13

Safety of [ 2361974-00-5 ]

Signal Word:Danger Class:6.1
Precautionary Statements:P260-P264-P270-P271-P273-P280-P301+P310-P302+P352-P304+P340-P311-P312-P321-P322-P330-P361-P363-P391-P403+P233-P405-P501 UN#:2811
Hazard Statements:H301-H311-H331-H410 Packing Group:
GHS Pictogram:
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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 • 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 • 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 • Hantzsch Pyridine Synthesis • 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 • 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 • Pyridines React with Grignard or Organolithium Reagents • 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-Vilsmeier Reagent • Strecker Synthesis • Synthesis of 2-Amino Nitriles • Ugi Reaction
Historical Records

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[ 2361974-00-5 ]

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