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5877-58-7

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Basic Information
CAS No.: 5877-58-7
Name: N-benzylidene-m-toluidine
Article Data: 73
Molecular Structure:
Molecular Structure of 5877-58-7 (N-benzylidene-m-toluidine)
Formula: C14H13N
Molecular Weight: 195.264
Synonyms: m-Toluidine,N-benzylidene- (6CI,8CI);N-Benzylidene-m-methylaniline;N-Benzylidene-m-toluidine;N-(m-tolyl)-1-phenyl-methanimine;
EINECS: 227-548-5
Density: 0.95 g/cm3
Melting Point: 31 °C
Boiling Point: 334.7 °C at 760 mmHg
Flash Point: 148.4 °C
PSA: 12.36000
LogP: 3.74560
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Specification

The Benzenamine,3-methyl-N-(phenylmethylene)-, with the CAS registry number 5877-58-7, is also known as N-Benzylidene-m-methylaniline. Its EINECS number is 227-548-5. This chemical's molecular formula is C14H13N and molecular weight is 195.26. What's more, its systematic name is N-(m-tolyl)-1-phenyl-methanimine.

Physical properties of Benzenamine,3-methyl-N-(phenylmethylene)- are: (1)ACD/LogP: 3.36; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.35; (4)ACD/LogD (pH 7.4): 3.36; (5)#H bond acceptors: 1; (6)#H bond donors: 0; (7)#Freely Rotating Bonds: 2; (8)Polar Surface Area: 12.36 Å2; (9)Index of Refraction: 1.545; (10)Molar Refractivity: 64.83 cm3; (11)Molar Volume: 204.7 cm3; (12)Polarizability: 25.7×10-24cm3; (13)Surface Tension: 34.8 dyne/cm; (14)Density: 0.95 g/cm3; (15)Flash Point: 148.4 °C; (16)Enthalpy of Vaporization: 55.48 kJ/mol; (17)Boiling Point: 334.7 °C at 760 mmHg; (18)Vapour Pressure: 0.000244 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: Cc2cc(N=Cc1ccccc1)ccc2
(2)InChI: InChI=1S/C14H13N/c1-12-6-5-9-14(10-12)15-11-13-7-3-2-4-8-13/h2-11H,1H3
(3)InChIKey: RAMVBCXRKUNVQT-UHFFFAOYSA-N