Specification: |
The cas register number of 1-(6-Chloro-1H-benzimidazol-2-yl)methanamine is 273399-95-4. It also can be called as 1H-Benzimidazole-2-methanamine,6-chloro- and the Systematic name about this chemical is 1-(6-chloro-1H-benzimidazol-2-yl)methanamine. It belongs to the Benzimidazole.
Physical properties about 1-(6-Chloro-1H-benzimidazol-2-yl)methanamine are: (1)ACD/LogP: 1.22; (2)ACD/LogD (pH 5.5): -1.33; (3)ACD/LogD (pH 7.4): 0.3; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 1; (7)ACD/KOC (pH 7.4): 13.18; (8)#H bond acceptors: 3; (9)#H bond donors: 3; (10)#Freely Rotating Bonds: 2; (11)Polar Surface Area: 21.06Å2; (12)Index of Refraction: 1.716; (13)Molar Refractivity: 49.96 cm3; (14)Molar Volume: 127 cm3; (15)Polarizability: 19.8x10-24cm3; (16)Surface Tension: 69.3 dyne/cm; (17)Enthalpy of Vaporization: 67.06 kJ/mol; (18)Vapour Pressure: 3.58E-07 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: Clc2cc1c(nc(n1)CN)cc2
(2)InChI: InChI=1/C8H8ClN3/c9-5-1-2-6-7(3-5)12-8(4-10)11-6/h1-3H,4,10H2,(H,11,12)
(3)InChIKey: WVBPEUGZSSDGPT-UHFFFAOYAQ
(4)Std. InChI: InChI=1S/C8H8ClN3/c9-5-1-2-6-7(3-5)12-8(4-10)11-6/h1-3H,4,10H2,(H,11,12)
(5)Std. InChIKey: WVBPEUGZSSDGPT-UHFFFAOYSA-N
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