Basic Information | Post buying leads | Suppliers |
Name |
1H-Imidazole,5-[(2,3-dimethylphenyl)methyl]- |
EINECS | N/A |
CAS No. | 76631-46-4 | Density | 1.077 g/cm3 |
PSA | 28.68000 | LogP | 2.61730 |
Solubility | N/A | Melting Point |
114-116° |
Formula | C12H14N2 | Boiling Point | 386.5 °C at 760 mmHg |
Molecular Weight | 186.257 | Flash Point | 200.6 °C |
Transport Information | N/A | Appearance | White crystalline powder |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
1H-Imidazole,4-[(2,3-dimethylphenyl)methyl]- (9CI);Detomidine;MPV 252AII;5-(2,3-dimethylbenzyl)-1H-imidazole;Domosedan;(R)-4-[1-(2,3-Dimethylphenyl)ethyl]-1H-imidazole hydrochloride;1H-Imidazole, 4-((2,3-dimethylphenyl)methyl)-;4-(2,3-Dimethylbenzyl)imidazol;4-(2',3'-Dimethylbenzyl)imidazole;4-(2,3-Dimethylbenzyl)imidazole;4-[(2,3-Dimethylphenyl)methyl]-1H-imidazole; |
The 1H-Imidazole,5-[(2,3-dimethylphenyl)methyl]-, with the CAS registry number 76631-46-4, has the systematic name of 5-(2,3-dimethylbenzyl)-1H-imidazole. It is a kind of organics, and should be stored in the dry and cool environment. And the molecular formula of the chemical is C12H14N2.
The characteristics of 1H-Imidazole,5-[(2,3-dimethylphenyl)methyl]- are as followings: (1)ACD/LogP: 2.75; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.91; (4)ACD/LogD (pH 7.4): 2.43; (5)ACD/BCF (pH 5.5): 1.05; (6)ACD/BCF (pH 7.4): 34.67; (7)ACD/KOC (pH 5.5): 10.83; (8)ACD/KOC (pH 7.4): 357.52; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 17.82 Å2; (13)Index of Refraction: 1.582; (14)Molar Refractivity: 57.74 cm3; (15)Molar Volume: 172.9 cm3; (16)Polarizability: 22.89×10-24cm3; (17)Surface Tension: 44.7 dyne/cm; (18)Density: 1.077 g/cm3; (19)Flash Point: 200.6 °C; (20)Enthalpy of Vaporization: 61.06 kJ/mol; (21)Boiling Point: 386.5 °C at 760 mmHg; (22)Vapour Pressure: 7.83E-06 mmHg at 25°C.
Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: n1cc(nc1)Cc2c(c(ccc2)C)C
(2)InChI: InChI=1/C12H14N2/c1-9-4-3-5-11(10(9)2)6-12-7-13-8-14-12/h3-5,7-8H,6H2,1-2H3,(H,13,14)
(3)InChIKey: RHDJRPPFURBGLQ-UHFFFAOYAM