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| CAS No.: | 13682-32-1 |
|---|---|
| Name: | 5-methyl-2-phenyl-1H-imidazole-4-methanol |
| Molecular Structure: | |
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| Formula: | C11H12N2O |
| Molecular Weight: | 188.229 |
| Synonyms: | 1H-Imidazole-4-methanol,5-methyl-2-phenyl- (9CI);Imidazole-4-methanol, 5-methyl-2-phenyl- (8CI);(5-Methyl-2-phenyl-1H-imidazol-4-yl)methanol;2P4MHZ;2P4MHZ-PW;5-(Hydroxymethyl)-4-methyl-2-phenylimidazole;Curezol 2P4MHZ;Curezol 2P4MHZ-PW; |
| EINECS: | 237-187-5 |
| Density: | 1.203 g/cm3 |
| Boiling Point: | 446.1 °C at 760 mmHg |
| Flash Point: | 223.6 °C |
| PSA: | 48.91000 |
| LogP: | 1.87740 |
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Specification
The 1H-Imidazole-5-methanol,4-methyl-2-phenyl-, with the CAS registry number 13682-32-1 and EINECS registry number 237-187-5, has the systematic name of (5-methyl-2-phenyl-1H-imidazol-4-yl)methanol. And the molecular formula of this chemical is C11H12N2O.
The physical properties of 1H-Imidazole-5-methanol,4-methyl-2-phenyl- are as following: (1)ACD/LogP: 1.16; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.17; (4)ACD/LogD (pH 7.4): 1.05; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 3.51; (7)ACD/KOC (pH 5.5): 4.82; (8)ACD/KOC (pH 7.4): 79.91; (9)#H bond acceptors: 3; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 27.05 Å2; (13)Index of Refraction: 1.616; (14)Molar Refractivity: 54.64 cm3; (15)Molar Volume: 156.3 cm3; (16)Polarizability: 21.66×10-24cm3; (17)Surface Tension: 54.8 dyne/cm; (18)Density: 1.203 g/cm3; (19)Flash Point: 223.6 °C; (20)Enthalpy of Vaporization: 74.22 kJ/mol; (21)Boiling Point: 446.1 °C at 760 mmHg; (22)Vapour Pressure: 9.65E-09 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: OCc2nc(c1ccccc1)nc2C
(2)InChI: InChI=1/C11H12N2O/c1-8-10(7-14)13-11(12-8)9-5-3-2-4-6-9/h2-6,14H,7H2,1H3,(H,12,13)
(3)InChIKey: RUEBPOOTFCZRBC-UHFFFAOYAF