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170850-45-0

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Basic Information
CAS No.: 170850-45-0
Name: 6-P-TOLYLPYRIDIN-3-YLAMINE
Article Data: 5
Molecular Structure:
Molecular Structure of 170850-45-0 (6-P-TOLYLPYRIDIN-3-YLAMINE)
Formula: C12H12N2
Molecular Weight: 184.241
Synonyms: 6-(4-Methylphenyl)pyridin-3-amine;
Density: 1.107 g/cm3
Boiling Point: 351.084 °C at 760 mmHg
Flash Point: 193.186 °C
PSA: 38.91000
LogP: 3.22040
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Specification

The CAS registry number of 3-Pyridinamine,6-(4-methylphenyl)- is 170850-45-0. This chemical's molecular formula is C12H12N2 and molecular weight is 184.2371. What's more, its systematic name is called 6-(4-Methylphenyl)pyridin-3-amine.

Physical properties about 3-Pyridinamine,6-(4-methylphenyl)- are: (1)ACD/LogP: 2.44; (2)#of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2; (4)ACD/LogD (pH 7.4): 2; (5)ACD/BCF (pH 5.5): 30; (6)ACD/BCF (pH 7.4): 41; (7)ACD/KOC (pH 5.5): 364; (8)ACD/KOC (pH 7.4): 492; (9)#H bond acceptors: 2; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 38.91 Å2; (13)Index of Refraction: 1.614; (14)Molar Refractivity: 57.997 cm3; (15)Molar Volume: 166.497 cm3; (16)Polarizability: 22.992×10-24 cm3; (17)Surface Tension: 48.005 dyne/cm; (18)Density: 1.107 g/cm3; (19)Flash Point: 193.186 °C; (20)Enthalpy of Vaporization: 59.575 kJ/mol; (21)Boiling Point: 351.084 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: Cc1ccc(cc1)c2ccc(N)cn2
(2) InChI: InChI=1/C12H12N2/c1-9-2-4-10(5-3-9)12-7-6-11(13)8-14-12/h2-8H,13H2,1H3
(3) InChIKey: XFOKQYJVMKHJPW-UHFFFAOYAW