4-Aminobutanenitrile supplier

Name
4-aminobutyronitrile
EINECS 251-199-8
CAS No. 32754-99-7
Article Data22
CAS DataBase
Density 0.918 g/cm³
Solubility
Melting Point
Formula C₄H₈N₂
Boiling Point 201.2 °C at 760 mmHg
Molecular Weight 84.1209
Flash Point 75.5 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 4-Aminobutyronitrile;
PSA 49.81000
LogP 0.94918

4-Aminobutanenitrile Specification

The 4-Aminobutanenitrile, with the CAS registry number of 32754-99-7, is also known as (2-Cyanoethyl)methyl amine. Its EINECS registry number is 251-199-8. This chemical's molecular formula is C₄H₈N₂ and molecular weight is 84.11972. What's more, its IUPAC name is 4-Aminobutanenitrile.

Physical properties about 4-Aminobutanenitrile are: (1)ACD/LogP: -0.80; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -3.72; (4)ACD/LogD (pH 7.4): -2.3; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 2; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 27.03 Å²; (13)Index of Refraction: 1.437; (14)Molar Refractivity: 24.02 cm³; (15)Molar Volume: 91.6 cm³; (16)Surface Tension: 38.7 dyne/cm; (17)Density: 0.918 g/cm³; (18)Flash Point: 75.5 °C; (19)Enthalpy of Vaporization: 43.74 kJ/mol; (20)Boiling Point: 201.2 °C at 760 mmHg; (21)Vapour Pressure: 0.312 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: N#CCCCN
(2) InChI: InChI=1/C4H8N2/c5-3-1-2-4-6/h1-3,5H2
(3) InChIKey: XGYKKVTZDQDYJQ-UHFFFAOYAE

Product Name

4-aminobutyronitrile

4-Aminobutanenitrile Specification

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