The CAS registry number of 1,2-Benzenediamine,N1-4-pyridinyl- is 65053-26-1. The systematic name is N-(pyridin-4-yl)benzene-1,2-diamine. In addition, the molecular formula is C11H11N3 and the molecular weight is 185.23. What's more, it can be used as an intermediate to prepare Timiperone. And it should be stored in a cool and dry place.
Physical properties about this chemical are: (1)ACD/LogP: 0.52; (2)ACD/LogD (pH 7.4): 0.49; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1.35; (5)ACD/KOC (pH 5.5): 5.44; (6)ACD/KOC (pH 7.4): 42.13; (7)#H bond acceptors: 3; (8)#H bond donors: 3; (9)#Freely Rotating Bonds: 3; (10)Polar Surface Area: 19.37 Å2; (11)Index of Refraction: 1.693; (12)Molar Refractivity: 57.95 cm3; (13)Molar Volume: 150.9 cm3; (14)Polarizability: 22.97 ×10-24cm3; (15)Surface Tension: 60.2 dyne/cm; (16)Density: 1.226 g/cm3; (17)Flash Point: 170.9 °C; (18)Enthalpy of Vaporization: 60.45 kJ/mol; (19)Boiling Point: 359 °C at 760 mmHg; (20)Vapour Pressure: 2.46E-05 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: n2ccc(Nc1c(N)cccc1)cc2
(2)InChI: InChI=1/C11H11N3/c12-10-3-1-2-4-11(10)14-9-5-7-13-8-6-9/h1-8H,12H2,(H,13,14)
(3)InChIKey: WDRQNOGGIOMQNA-UHFFFAOYAV
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