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| CAS No.: | 20033-99-2 |
|---|---|
| Name: | (5-METHOXY-1H-BENZOIMIDAZOL-2-YL)-METHANOL |
| Molecular Structure: | |
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| Formula: | C9H10N2O2 |
| Molecular Weight: | 178.19 |
| Synonyms: | 2-Benzimidazolemethanol, 5(or 6)-methoxy- (7CI);1H-Benzimidazole-2-methanol,5-methoxy- (9CI);2-Benzimidazolemethanol, 5-methoxy- (8CI); |
| Density: | 1.34 g/cm3 |
| Boiling Point: | 441 °C at 760 mmHg |
| Flash Point: | 220.5 °C |
| Hazard Symbols: | Xi |
| Risk Codes: | 41 |
| Safety: | 26-39 |
| PSA: | 58.14000 |
| LogP: | 1.06380 |
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Specification
The 1H-Benzimidazole-2-methanol,6-methoxy-, with the CAS registry number 20033-99-2, is also known as (5-Methoxy-1H-benzimidazol-2-yl)methanol. It belongs to the product categories of Benzimidazole; Pharmacetical. This chemical's molecular formula is C9H10N2O2 and molecular weight is 178.19. What's more, its systematic name is called (6-Methoxy-1H-benzimidazol-2-yl)methanol.
Physical properties about 1H-Benzimidazole-2-methanol,6-methoxy- are: (1) ACD/LogP: 1.08; (2) # of Rule of 5 Violations: 0; (3) ACD/LogD (pH 5.5): 0.95; (4) ACD/LogD (pH 7.4): 1.08; (5) ACD/BCF (pH 5.5): 2.88; (6) ACD/BCF (pH 7.4): 3.91; (7) ACD/KOC (pH 5.5): 67.88; (8) ACD/KOC (pH 7.4): 92.2; (9) #H bond acceptors: 4; (10) #H bond donors: 2; (11) #Freely Rotating Bonds: 3; (12) Polar Surface Area: 36.28 Å2; (13) Index of Refraction: 1.671; (14) Molar Refractivity: 49.74 cm3; (15) Molar Volume: 132.9 cm3; (16) Surface Tension: 63.4 dyne/cm; (17) Density: 1.34 g/cm3; (18) Flash Point: 220.5 °C; (19) Enthalpy of Vaporization: 73.59 kJ/mol; (20) Boiling Point: 441 °C at 760 mmHg; (21) Vapour Pressure: 1.48E-08 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: O(c2cc1c(nc(n1)CO)cc2)C
(2) InChI: InChI=1/C9H10N2O2/c1-13-6-2-3-7-8(4-6)11-9(5-12)10-7/h2-4,12H,5H2,1H3,(H,10,11)
(3) InChIKey: VFKGGGIPGOQNRO-UHFFFAOYAE