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36271-19-9

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Basic Information
CAS No.: 36271-19-9
Name: (benzylphenylamino)acetonitrile
Article Data: 12
Molecular Structure:
Molecular Structure of 36271-19-9 ((benzylphenylamino)acetonitrile)
Formula: C15H14N2
Molecular Weight: 222.29
Synonyms: Acetonitrile,[phenyl(phenylmethyl)amino]- (9CI);N-Benzyl-N-cyanomethylaniline;
EINECS: 252-945-5
Density: 1.122 g/cm3
Melting Point: 193-194 °C
Boiling Point: 392.1 °C at 760 mmHg
Flash Point: 172.9 °C
PSA: 27.03000
LogP: 3.21678
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Specification

The Acetonitrile,2-[phenyl(phenylmethyl)amino]-, with the CAS registry number 36271-19-9, is also known as (Benzylphenylamino)acetonitrile. This chemical's molecular formula is C15H14N2 and molecular weight is 222.2851. What's more, its systematic name is [Benzyl(phenyl)amino]acetonitrile. 

Physical properties about Acetonitrile,2-[phenyl(phenylmethyl)amino]- are: (1)ACD/LogP: 3.46; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.46; (4)ACD/LogD (pH 7.4): 3.46; (5)ACD/BCF (pH 5.5): 249.63; (6)ACD/BCF (pH 7.4): 249.64; (7)ACD/KOC (pH 5.5): 1809.62; (8)ACD/KOC (pH 7.4): 1809.67; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 27.03 Å2; (13)Index of Refraction: 1.62; (14)Molar Refractivity: 69.6 cm3; (15)Molar Volume: 198 cm3; (16)Polarizability: 27.59×10-24cm3; (17)Surface Tension: 51.1 dyne/cm; (18)Density: 1.122 g/cm3; (19)Flash Point: 172.9 °C; (20)Enthalpy of Vaporization: 64.18 kJ/mol; (21)Boiling Point: 392.1 °C at 760 mmHg; (22)Vapour Pressure: 2.34E-06 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: N#CCN(c1ccccc1)Cc2ccccc2
(2) InChI: InChI=1/C15H14N2/c16-11-12-17(15-9-5-2-6-10-15)13-14-7-3-1-4-8-14/h1-10H,12-13H2
(3) InChIKey: GNBSIDZPFKKPIP-UHFFFAOYAR