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85423-09-2

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Basic Information
CAS No.: 85423-09-2
Name: 3-[(4-aminophenyl)methyl]-p-toluidine
Article Data: 2
Molecular Structure:
Molecular Structure of 85423-09-2 (3-[(4-aminophenyl)methyl]-p-toluidine)
Formula: C14H16N2
Molecular Weight: 212.294
Synonyms: 3-[(4-Aminophenyl)methyl]-4-methylaniline;3-(4-Aminobenzyl)-4-methylaniline;3-((4-Aminophenyl)methyl)-p-toluidine;
EINECS: 287-212-9
Density: 1.119 g/cm3
Boiling Point: 405.7 °C at 760 mmHg
Flash Point: 238.3 °C
PSA: 52.04000
LogP: 3.91260
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Specification

The Benzenamine,3-[(4-aminophenyl)methyl]-4-methyl-, with the CAS registry number 85423-09-2, is also known as 3-(4-Aminobenzyl)-4-methylaniline. Its EINECS number is 287-212-9. This chemical's molecular formula is C14H16N2 and molecular weight is 212.29. What's more, its systematic name is 3-[(4-aminophenyl)methyl]-4-methylaniline.

Physical properties of Benzenamine,3-[(4-aminophenyl)methyl]-4-methyl- are: (1)ACD/LogP: 2.10; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.92; (4)ACD/LogD (pH 7.4): 2.1; (5)ACD/BCF (pH 5.5): 15.15; (6)ACD/BCF (pH 7.4): 23.21; (7)ACD/KOC (pH 5.5): 215.36; (8)ACD/KOC (pH 7.4): 329.89; (9)#H bond acceptors: 2; (10)#H bond donors: 4; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 6.48 Å2; (13)Index of Refraction: 1.646; (14)Molar Refractivity: 68.86 cm3; (15)Molar Volume: 189.6 cm3; (16)Polarizability: 27.29×10-24cm3; (17)Surface Tension: 51.3 dyne/cm; (18)Density: 1.119 g/cm3; (19)Flash Point: 238.3 °C; (20)Enthalpy of Vaporization: 65.74 kJ/mol; (21)Boiling Point: 405.7 °C at 760 mmHg; (22)Vapour Pressure: 8.56E-07 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CC1=C(C=C(C=C1)N)CC2=CC=C(C=C2)N
(2)InChI: InChI=1S/C14H16N2/c1-10-2-5-14(16)9-12(10)8-11-3-6-13(15)7-4-11/h2-7,9H,8,15-16H2,1H3
(3)InChIKey: SJGGHASKJNUCMZ-UHFFFAOYSA-N