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36602-08-1

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Basic Information
CAS No.: 36602-08-1
Name: 2-(MethylphenylaMino)-acetonitrile
Article Data: 63
Molecular Structure:
Molecular Structure of 36602-08-1 (2-(MethylphenylaMino)-acetonitrile)
Formula: C9H10N2
Molecular Weight: 146.192
Synonyms: Acetonitrile,(methylphenylamino)- (9CI);Glycinonitrile, N-methyl-N-phenyl- (7CI);(Methylphenylamino)acetonitrile;(N-Methylanilino)acetonitrile;2-(N-Methylanilino)acetonitrile;N-(Cyanomethyl)-N-methylaniline;NSC 406908;NSC 59411;a-(N-Methylanilino)acetonitrile;
Density: 1.064 g/cm3
Boiling Point: 263.5 °C at 760 mmHg
Flash Point: 110 °C
PSA: 27.03000
LogP: 1.64638
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Specification

Product name of this chemical is Acetonitrile, 2-(methylphenylamino)- and the CAS registry number is 36602-08-1. This chemical's molecular formula is C9H10N2 and molecular weight is 146.1891. What's more, its IUPAC name is [Methyl(phenyl)amino]acetonitrile.

Physical properties about Acetonitrile,2-(methylphenylamino)- are: (1)ACD/LogP: 1.36; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 2; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 2; (6)Polar Surface Area: 27.03 Å2; (7)Index of Refraction: 1.57; (8)Molar Refractivity: 45.11 cm3; (9)Molar Volume: 137.3 cm3; (10)Polarizability: 17.88×10-24cm3; (11)Surface Tension: 45.8 dyne/cm; (12)Density: 1.064 g/cm3; (13)Flash Point: 110 °C; (14)Enthalpy of Vaporization: 50.13 kJ/mol; (15)Boiling Point: 263.5 °C at 760 mmHg; (16)Vapour Pressure: 0.0103 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: N#CCN(c1ccccc1)C
(2) InChI: InChI=1/C9H10N2/c1-11(8-7-10)9-5-3-2-4-6-9/h2-6H,8H2,1H3
(3) InChIKey: ANIQVHCSNGQMPG-UHFFFAOYAK