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| CAS No.: | 68426-81-3 |
|---|---|
| Name: | 1H-Benzimidazole,2-ethenyl-5-methoxy-1-methyl-(9CI) |
| Article Data: | 2 |
| Molecular Structure: | |
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| Formula: | C11H12N2O |
| Molecular Weight: | 188.229 |
| Synonyms: | 5-Methoxy-1-methyl-2-vinyl-benzimidazole; |
| Density: | 1.094 g/cm3 |
| Boiling Point: | 345.461 °C at 760 mmHg |
| Flash Point: | 162.729 °C |
| PSA: | 27.05000 |
| LogP: | 2.22490 |
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- Total:3 Page 1 of 1 1
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Specification
The 1H-Benzimidazole,2-ethenyl-5-methoxy-1-methyl- has the CAS registry number 68426-81-3. It belongs to the product category of Benzimidazole. This chemical's molecular formula is C11H12N2O and molecular weight is 188.23. What's more, its systematic name is 5-methoxy-1-methyl-2-vinyl-benzimidazole.
Physical properties of 1H-Benzimidazole,2-ethenyl-5-methoxy-1-methyl- are: (1)ACD/LogP: 2.36; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.048; (4)ACD/LogD (pH 7.4): 2.352; (5)ACD/BCF (pH 5.5): 17.891; (6)ACD/BCF (pH 7.4): 35.986; (7)ACD/KOC (pH 5.5): 224.075; (8)ACD/KOC (pH 7.4): 450.7; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 27.05 Å2; (13)Index of Refraction: 1.564; (14)Molar Refractivity: 55.983 cm3; (15)Molar Volume: 172.005 cm3; (16)Polarizability: 22.193×10-24cm3; (17)Surface Tension: 35.536 dyne/cm; (18)Density: 1.094 g/cm3; (19)Flash Point: 162.729 °C; (20)Enthalpy of Vaporization: 58.953 kJ/mol; (21)Boiling Point: 345.461 °C at 760 mmHg.
You can still convert the following datas into molecular structure:
(1)SMILES: Cn1c2ccc(cc2nc1C=C)OC
(2)InChI: InChI=1S/C11H12N2O/c1-4-11-12-9-7-8(14-3)5-6-10(9)13(11)2/h4-7H,1H2,2-3H3
(3)InChIKey: ZONRBWXBMNASSS-UHFFFAOYSA-N