The 1-Phenyl-1-pyridin-2-ylmethanamine, with the CAS registry number 93870-41-8, is also known as Phenyl-pyridin-2-ylmethyl-amine. This chemical's molecular formula is C12H12N2 and molecular weight is 184.2371. Its systematic name is called phenyl(2-pyridyl)methanamine.
Physical properties of 1-Phenyl-1-pyridin-2-ylmethanamine: (1)ACD/LogP: 1.39; (2)ACD/LogD (pH 7.4): 1.268; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 5.052; (5)ACD/KOC (pH 5.5): 5.003; (6)ACD/KOC (pH 7.4): 102.227; (7)#H bond acceptors: 2; (8)#H bond donors: 2; (9)#Freely Rotating Bonds: 3; (10)Index of Refraction: 1.603; (11)Molar Refractivity: 57.197 cm3; (12)Molar Volume: 166.485 cm3; (13)Surface Tension: 48.863 dyne/cm; (14)Density: 1.107 g/cm3; (15)Flash Point: 163.266 °C; (16)Enthalpy of Vaporization: 55.319 kJ/mol; (17)Boiling Point: 312.215 °C at 760 mmHg; (18)Vapour Pressure: 0.001 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: c1ccc(cc1)C(c2ccccn2)N
(2)InChI: InChI=1/C12H12N2/c13-12(10-6-2-1-3-7-10)11-8-4-5-9-14-11/h1-9,12H,13H2
(3)InChIKey: BAEZXIOBOOEPOS-UHFFFAOYAI
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