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2-Propenenitrile,3-amino-2-methyl-3-phenyl- (19389-49-2)

Identification
Name:2-Propenenitrile,3-amino-2-methyl-3-phenyl-
Synonyms:Cinnamonitrile,b-amino-a-methyl- (8CI)
CAS:19389-49-2
Molecular Formula: C10H10 N2
Molecular Weight: 158.20
InChI: InChI=1/C10H10N2/c1-8(7-11)10(12)9-5-3-2-4-6-9/h2-6H,12H2,1H3/b10-8+
Molecular Structure: (C10H10N2) Cinnamonitrile,b-amino-a-methyl- (8CI)
Properties
Density:1.075g/cm3
Refractive index:1.576
Specification:

The 3-Amino-2-methyl-3-phenylacrylonitrile, with CAS registry number 19389-49-2,  has the systematic name of 2-propenenitrile, 3-amino-2-methyl-3-phenyl-, (2E)-. Besides this, it is also called (2E)-3-Amino-2-methyl-3-phenylacrylonitrile. And the chemical formula of this chemical is C10H10N2. Its molecular weight is 189.25.

Physical properties of 3-Amino-2-methyl-3-phenylacrylonitrile: (1)ACD/LogP: 2.17; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.17; (4)ACD/LogD (pH 7.4): 2.17; (5)ACD/BCF (pH 5.5): 26.1; (6)ACD/BCF (pH 7.4): 26.14; (7)ACD/KOC (pH 5.5): 359.31; (8)ACD/KOC (pH 7.4): 359.86; (9)#H bond acceptors: 2; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 49.81 Å2; (13)Index of Refraction: 1.576; (14)Molar Refractivity: 48.7 cm3; (15)Molar Volume: 147.1 cm3; (16)Polarizability: 19.3×10-24cm3; (17)Surface Tension: 46.3 dyne/cm; (18)Enthalpy of Vaporization: 61.13 kJ/mol; (19)Vapour Pressure: 1.62E-05 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: C/C(=C(/c1ccccc1)\N)/C#N
(2)InChI: InChI=1/C10H10N2/c1-8(7-11)10(12)9-5-3-2-4-6-9/h2-6H,12H2,1H3/b10-8+
(3)InChIKey: YSYGWWPQIGAWSV-CSKARUKUBR
(4)Std. InChI: InChI=1S/C10H10N2/c1-8(7-11)10(12)9-5-3-2-4-6-9/h2-6H,12H2,1H3/b10-8+
(5)Std. InChIKey: YSYGWWPQIGAWSV-CSKARUKUSA-N

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