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CAS No.: | 20034-02-0 |
---|---|
Name: | (6-Methyl-1H-benzimidazol-2-yl)methanol |
Article Data: | 14 |
Molecular Structure: | |
Formula: | C9H10N2O |
Molecular Weight: | 162.19 |
Synonyms: | 1H-Benzimidazole-2-methanol,5-methyl- (9CI);2-Benzimidazolemethanol, 5(or 6)-methyl- (6CI);2-Benzimidazolemethanol, 5-methyl- (8CI); |
Density: | 1.295 g/cm3 |
Melting Point: | 203 °C |
Boiling Point: | 416.3 °C at 760 mmHg |
Flash Point: | 205.6 °C |
Hazard Symbols: | |
Risk Codes: | 41 |
Safety: | 26-39 |
PSA: | 48.91000 |
LogP: | 1.36360 |
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The (6-Methyl-1H-benzimidazol-2-yl)methanol with its cas register number is 20034-02-0. It also can be called as 1H-Benzimidazole-2-methanol,6-methyl- and the Systematic name about this chemical is (5-methyl-1H-benzimidazol-2-yl)methanol. It belongs to the Benzimidazole.
Physical properties about (6-Methyl-1H-benzimidazol-2-yl)methanol are: (1)ACD/LogP: 1.13; (2)ACD/LogD (pH 5.5): 0.76; (3)ACD/LogD (pH 7.4): 1.12; (4)ACD/BCF (pH 5.5): 1.8; (5)ACD/BCF (pH 7.4): 4.17; (6)ACD/KOC (pH 5.5): 41.6; (7)ACD/KOC (pH 7.4): 96.33; (8)#H bond acceptors: 3; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 2; (11)Polar Surface Area: 27.05Å2; (12)Index of Refraction: 1.69; (13)Molar Refractivity: 47.89 cm3; (14)Molar Volume: 125.1 cm3; (15)Polarizability: 18.98x10-24cm3; (16)Surface Tension: 65.4 dyne/cm; (17)Enthalpy of Vaporization: 70.59 kJ/mol; (18)Vapour Pressure: 1.12E-07 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: OCc2nc1ccc(cc1n2)C
(2)InChI: InChI=1/C9H10N2O/c1-6-2-3-7-8(4-6)11-9(5-12)10-7/h2-4,12H,5H2,1H3,(H,10,11)
(3)InChIKey: GUVUEQHXSSOYNR-UHFFFAOYAK
(4)Std. InChI: InChI=1S/C9H10N2O/c1-6-2-3-7-8(4-6)11-9(5-12)10-7/h2-4,12H,5H2,1H3,(H,10,11)
(5)Std. InChIKey: GUVUEQHXSSOYNR-UHFFFAOYSA-N