1H-Imidazole,2-[(1S)-1-(2,3-dimethylphenyl)ethyl]- (944263-65-4)

The Demiditraz with its cas register number is 944263-65-4. It also can be called as 2-[(1S)-1-(2,3-Dimethylphenyl)ethyl]-1H-imidazole and the Systematic name about this chemical is 2-[1-(2,3-dimethylphenyl)ethyl]-1H-imidazole.

Physical properties about Demiditraz are: (1)ACD/LogP:2.67; (2)ACD/LogD (pH 5.5):0.52; (3)ACD/LogD (pH 7.4):2.05; (4)ACD/BCF (pH 5.5):1; (5)ACD/BCF (pH 7.4):15.11; (6)ACD/KOC (pH 5.5):4.77; (7)ACD/KOC (pH 7.4):161.73; (8)#H bond acceptors:2; (9)#H bond donors:1; (10)#Freely Rotating Bonds:2; (11)Polar Surface Area:28.68 Å²; (12)Index of Refraction:1.569; (13)Molar Refractivity:62.37 cm³; (14)Molar Volume:190.1 cm³; (15)Polarizability:24.72x10^-24cm³; (16)Surface Tension:42.5 dyne/cm; (17)Enthalpy of Vaporization:63.35 kJ/mol; (18)Vapour Pressure:1.8E-06 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: CC(c1cccc(C)c1C)c2nccn2
(2)InChI: InChI=1/C13H16N2/c1-9-5-4-6-12(10(9)2)11(3)13-14-7-8-15-13/h4-8,11H,1-3H3,(H,14,15)
(3)InChIKey: FXJRDUKXWHFPND-UHFFFAOYAM
(4)Std. InChI: InChI=1S/C13H16N2/c1-9-5-4-6-12(10(9)2)11(3)13-14-7-8-15-13/h4-8,11H,1-3H3,(H,14,15)
(5)Std. InChIKey: FXJRDUKXWHFPND-UHFFFAOYSA-N