The 4-(2-Pyridyl)aniline, with the cas registry number 18471-73-3, has the systematic name of 4-(pyridin-2-yl)aniline. It belongs to the category of pharmacetical. And the molecular formula of the chemical is C11H10N2.
The characteristics of this chemical are as followings: (1)ACD/LogP: 1.42; (2)# of Rule of 5 Violations: 0 ; (3)#H bond acceptors: 2; (4)#H bond donors: 2; (5)#Freely Rotating Bonds: 2; (6)Polar Surface Area: 16.13 Å2; (7)Index of Refraction: 1.625; (8)Molar Refractivity: 53.17 cm3; (9)Molar Volume: 150.2 cm3; (10)Polarizability: 21.07×10-24cm3; (11)Surface Tension: 50.5 dyne/cm; (12)Density: 1.133 g/cm3; (13)Flash Point: 175.1 °C; (14)Enthalpy of Vaporization: 56.47 kJ/mol; (15)Boiling Point: 322.8 °C at 760 mmHg; (16)Vapour Pressure: 0.000272 mmHg at 25°C.
Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: n1ccccc1c2ccc(N)cc2
(2)InChI: InChI=1/C11H10N2/c12-10-6-4-9(5-7-10)11-3-1-2-8-13-11/h1-8H,12H2
(3)InChIKey: BXYRAPNURYRQSP-UHFFFAOYAB
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