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| CAS No.: | 10394-39-5 |
|---|---|
| Name: | 5-METHOXY-1-METHYLBENZIMIDAZOLE |
| Molecular Structure: | |
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| Formula: | C9H10N2O |
| Molecular Weight: | 162.191 |
| Synonyms: | Benzimidazole,5-methoxy-1-methyl- (6CI,8CI);5-Methoxy-1-methyl-1H-benzimidazole; |
| Density: | 1.154 g/cm3 |
| Melting Point: | 112-113 °C(Solv: benzene (71-43-2)) |
| Boiling Point: | 300.256 °C at 760 mmHg |
| Flash Point: | 135.39 °C |
| PSA: | 27.05000 |
| LogP: | 1.58190 |
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The 5-Methoxy-1-methylbenzimidazole, with the CAS registry number 10394-39-5, is also known as Benzimidazole,5-methoxy-1-methyl-. It belongs to the product category of Benzimidazole. This chemical's molecular formula is C9H10N2O and molecular weight is 136.17. What's more, its systematic name is 5-Methoxy-1-methyl-1H-benzimidazole.
Physical properties of 5-Methoxy-1-methylbenzimidazole are: (1)ACD/LogP: 0.898; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.54; (4)ACD/LogD (pH 7.4): 0.89; (5)ACD/BCF (pH 5.5): 1.25; (6)ACD/BCF (pH 7.4): 2.79; (7)ACD/KOC (pH 5.5): 32.30; (8)ACD/KOC (pH 7.4): 72.21; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 27.05 Å2; (13)Index of Refraction: 1.582; (14)Molar Refractivity: 46.95 cm3; (15)Molar Volume: 140.595 cm3; (16)Polarizability: 18.612×10-24cm3; (17)Surface Tension: 38.52 dyne/cm; (18)Density: 1.154 g/cm3; (19)Flash Point: 135.39 °C; (20)Enthalpy of Vaporization: 54.031 kJ/mol; (21)Boiling Point: 300.256 °C at 760 mmHg; (22)Vapour Pressure: 0.001 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: n2c1cc(OC)ccc1n(c2)C
(2)Std. InChI: InChI=1S/C9H10N2O/c1-11-6-10-8-5-7(12-2)3-4-9(8)11/h3-6H,1-2H3
(3)Std. InChIKey: HQACNRVQEIYCKZ-UHFFFAOYSA-N