Basic Information | Post buying leads | Suppliers |
Name |
1H-Benzimidazole-2-methanol,6-methoxy- |
EINECS | N/A |
CAS No. | 20033-99-2 | Density | 1.34 g/cm3 |
PSA | 58.14000 | LogP | 1.06380 |
Solubility | N/A | Melting Point |
N/A |
Formula | C9H10N2O2 | Boiling Point | 441 °C at 760 mmHg |
Molecular Weight | 178.19 | Flash Point | 220.5 °C |
Transport Information | N/A | Appearance | N/A |
Safety | 26-39 | Risk Codes | 41 |
Molecular Structure | Hazard Symbols | Xi | |
Synonyms |
2-Benzimidazolemethanol, 5(or 6)-methoxy- (7CI);1H-Benzimidazole-2-methanol,5-methoxy- (9CI);2-Benzimidazolemethanol, 5-methoxy- (8CI); |
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