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2272-45-9

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Basic Information
CAS No.: 2272-45-9
Name: BENZAL-P-TOLUIDINE
Article Data: 270
Molecular Structure:
Molecular Structure of 2272-45-9 (BENZAL-P-TOLUIDINE)
Formula: C14H13N
Molecular Weight: 195.264
Synonyms: N-Benzylidene-p-toluidine;NSC 95590;N-Benzylidene-4-toluidine;N-Benzylidene-p-methylaniline;N-Benzylidene-4-methylaniline;Methyl-N-benzylideneaniline;Benzylidene(p-methylaniline);Benzylidene(4-tolyl)amine;4-Methyl-N-(phenylmethylene)benzenamine;Benzylidene-p-toluidine;Benzylidene-4-toluidine;Benzylidene-4-methylaniline;4-Methyl-N-(benzylidene)aniline;p-Toluidine,N-benzylidene- (6CI,7CI,8CI);
EINECS: 218-879-6
Density: 0.95 g/cm3
Melting Point: 35°C
Boiling Point: 329.216 °C at 760 mmHg
Flash Point: 145.001 °C
Solubility: soluble in acetone, insoluble in water
Appearance: yellow oily liquid or crystals
Hazard Symbols: Xn
Risk Codes: 22
PSA: 12.36000
LogP: 3.74560
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Specification

The Benzenamine,4-methyl-N-(phenylmethylene)-, with the CAS registry number 2272-45-9, is also known as Benzylidene-p-toluidine. Its EINECS number is 218-879-6. This chemical's molecular formula is C14H13N and molecular weight is 196.25. What's more, its systematic name is N-benzylidene-4-methylaniline.

Physical properties of Benzenamine,4-methyl-N-(phenylmethylene)- are: (1)ACD/LogP: 3.36; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3; (4)ACD/LogD (pH 7.4): 3; (5)ACD/BCF (pH 5.5): 207; (6)ACD/BCF (pH 7.4): 210; (7)ACD/KOC (pH 5.5): 1579; (8)ACD/KOC (pH 7.4): 1600; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 12.36 Å2; (13)Index of Refraction: 1.546; (14)Molar Refractivity: 64.836 cm3; (15)Molar Volume: 204.759 cm3; (16)Polarizability: 25.703×10-24cm3; (17)Surface Tension: 34.859 dyne/cm; (18)Density: 0.954 g/cm3; (19)Flash Point: 145.001 °C; (20)Enthalpy of Vaporization: 54.898 kJ/mol; (21)Boiling Point: 329.216 °C at 760 mmHg.

You can still convert the following datas into molecular structure:
(1)SMILES: Cc2ccc(/N=C/c1ccccc1)cc2
(2)InChI: InChI=1S/C14H13N/c1-12-7-9-14(10-8-12)15-11-13-5-3-2-4-6-13/h2-11H,1H3
(3)InChIKey: MSFVFFZPHJPOHP-UHFFFAOYSA-N