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3867-18-3

Basic Information
CAS No.: 3867-18-3
Name: 2-AMINOSTYRENE
Article Data: 74
Molecular Structure:
Molecular Structure of 3867-18-3 (2-AMINOSTYRENE)
Formula: C8H9N
Molecular Weight: 119.166
Synonyms: Aniline,o-vinyl- (6CI,7CI,8CI);2-Aminostyrene;2-Ethenylbenzenamine;2-Vinylaniline;2-Vinylphenylamine;o-Aminostyrene;o-Vinylaniline;
Density: 1.013 g/cm3
Boiling Point: 219.505 °C at 760 mmHg
Flash Point: 93.84 °C
PSA: 26.02000
LogP: 2.49300
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Specification

The Benzenamine, 2-ethenyl- is an organic compound with the formula C8H9N. The systematic name of this chemical is 2-ethenylaniline. With the CAS registry number 3867-18-3, it is also named as 2-Vinylbenzenamine.

Physical properties about Benzenamine, 2-ethenyl- are: (1)ACD/LogP: 2.45; (2)ACD/LogD (pH 5.5): 1; (3)ACD/LogD (pH 7.4): 1; (4)ACD/BCF (pH 5.5): 7; (5)ACD/BCF (pH 7.4): 7; (6)ACD/KOC (pH 5.5): 138; (7)ACD/KOC (pH 7.4): 141; (8)#H bond acceptors: 1; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 2; (11)Polar Surface Area: 26.02 Å2; (12)Index of Refraction: 1.622; (13)Molar Refractivity: 41.413 cm3; (14)Molar Volume: 117.661 cm3; (15)Polarizability: 16.417×10-24cm3; (16)Surface Tension: 41.187 dyne/cm; (17)Density: 1.013 g/cm3; (18)Flash Point: 93.84 °C; (19)Enthalpy of Vaporization: 45.591 kJ/mol; (20)Boiling Point: 219.505 °C at 760 mmHg; (21)Vapour Pressure: 0.119 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: C=C\c1ccccc1N
(2)InChI: InChI=1/C8H9N/c1-2-7-5-3-4-6-8(7)9/h2-6H,1,9H2
(3)InChIKey: KURPPWHPIYBYBS-UHFFFAOYAG
(4)Std. InChI: InChI=1S/C8H9N/c1-2-7-5-3-4-6-8(7)9/h2-6H,1,9H2
(5)Std. InChIKey: KURPPWHPIYBYBS-UHFFFAOYSA-N