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CAS No.: | 32754-99-7 |
---|---|
Name: | 4-aminobutyronitrile |
Article Data: | 22 |
Molecular Structure: | |
Formula: | C4H8N2 |
Molecular Weight: | 84.1209 |
Synonyms: | 4-Aminobutyronitrile; |
EINECS: | 251-199-8 |
Density: | 0.918 g/cm3 |
Boiling Point: | 201.2 °C at 760 mmHg |
Flash Point: | 75.5 °C |
PSA: | 49.81000 |
LogP: | 0.94918 |
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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