The 3-Pyridinamine,6-(3-methylphenyl)-, with CAS registry number 893640-46-5, belongs to the following product category: Pyridine. It has the systematic name of 6-(3-methylphenyl)pyridin-3-amine. And the chemical formula of this chemical is C12H12N2.
Physical properties of 3-Pyridinamine,6-(3-methylphenyl)-: (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): 33; (6)ACD/BCF (pH 7.4): 41; (7)ACD/KOC (pH 5.5): 400; (8)ACD/KOC (pH 7.4): 493; (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: 22.992×10-24cm3; (17)Surface Tension: 48.005 dyne/cm; (18)Enthalpy of Vaporization: 58.92 kJ/mol; (19)Vapour Pressure: 0 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: Cc1cc(ccc1)c2ccc(N)cn2
(2)InChI: InChI=1/C12H12N2/c1-9-3-2-4-10(7-9)12-6-5-11(13)8-14-12/h2-8H,13H2,1H3
(3)InChIKey: FARJRMPIURHXHX-UHFFFAOYAX
(4)Std. InChI: InChI=1S/C12H12N2/c1-9-3-2-4-10(7-9)12-6-5-11(13)8-14-12/h2-8H,13H2,1H3
(5)Std. InChIKey: FARJRMPIURHXHX-UHFFFAOYSA-N
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