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| CAS No.: | 181867-19-6 |
|---|---|
| Name: | 1H-Benzimidazole-6-carboxaldehyde, 1-methyl- (9CI) |
| Molecular Structure: | |
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| Formula: | C9H8N2O |
| Molecular Weight: | 160.17 |
| Synonyms: | 1-Methyl-6-formylbenzimidazole; |
| Density: | 1.21 g/cm3 |
| Boiling Point: | 336.9 °C at 760 mmHg |
| Flash Point: | 157.5 °C |
| PSA: | 34.89000 |
| LogP: | 1.38580 |
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Specification
This chemical is called 1H-Benzimidazole-6-carboxaldehyde, 1-methyl-, and it can also be named as 1-Methyl-1H-benzimidazole-6-carbaldehyde. With the molecular formula of C9H8N2O, its molecular weight is 160.17. The CAS registry number of this chemical is 181867-19-6. Additionally, its product categories are Benzimidazole; Aldehyde.
Other characteristics of the 1H-Benzimidazole-6-carboxaldehyde, 1-methyl- can be summarised as followings: (1)ACD/LogP: 0.86; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.82; (4)ACD/LogD (pH 7.4): 0.86; (5)ACD/BCF (pH 5.5): 2.41; (6)ACD/BCF (pH 7.4): 2.67; (7)ACD/KOC (pH 5.5): 63.55; (8)ACD/KOC (pH 7.4): 70.18; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 34.89 Å2; (13)Index of Refraction: 1.622; (14)Molar Refractivity: 46.59 cm3; (15)Molar Volume: 132.2 cm3; (16)Polarizability: 18.47×10-24cm3; (17)Surface Tension: 45.9 dyne/cm; (18)Density: 1.21 g/cm3; (19)Flash Point: 157.5 °C; (20)Enthalpy of Vaporization: 58.01 kJ/mol; (21)Boiling Point: 336.9 °C at 760 mmHg; (22)Vapour Pressure: 0.000109 mmHg at 25°C.
You can still convert the following datas into molecular structure:
1.SMILES: O=Cc1ccc2ncn(C)c2c1
2.InChI: InChI=1/C9H8N2O/c1-11-6-10-8-3-2-7(5-12)4-9(8)11/h2-6H,1H3
3.InChIKey: VWOWVKAZVUBJDJ-UHFFFAOYAP