3-Amino-2-methyl-3-phenylacrylonitrile supplier

Name
3-amino-2-methyl-3-phenylacrylonitrile
EINECS
CAS No. 19389-49-2
Article Data3
CAS DataBase
Density 1.075g/cm³
Solubility
Melting Point 102-103 °C
Formula C₁₀H₁₀N₂
Boiling Point 365 °C at 760 mmHg
Molecular Weight 158.203
Flash Point 174.6 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Cinnamonitrile,b-amino-a-methyl- (8CI);
PSA 49.81000
LogP 2.60018

3-Amino-2-methyl-3-phenylacrylonitrile 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

Product Name

3-amino-2-methyl-3-phenylacrylonitrile

3-Amino-2-methyl-3-phenylacrylonitrile Specification

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