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Name |
Carbamic acid, (1-methyl-1H-benzimidazol-2-yl)-, methyl ester |
EINECS | N/A |
CAS No. | 77106-42-4 | Density | 1.29 g/cm3 |
PSA | N/A | LogP | N/A |
Solubility | N/A | Melting Point |
N/A |
Formula | C10H11N3O2 | Boiling Point | 318 °C at 760 mmHg |
Molecular Weight | 205.21 | Flash Point | 146.1 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
Methyl (1-methyl-1H-benzimidazol-2-yl)carbamate;Methyl N-(1-methylbenzimidazol-2-yl)carbamate;Carbamic acid, (1-methyl-1H-benzimidazol-2-yl)-, methyl ester (9CI); |
The Carbamic acid, (1-methyl-1H-benzimidazol-2-yl)-, methyl ester, with the CAS registry number 77106-42-4, is also known as Methyl N-(1-methylbenzimidazol-2-yl)carbamate. This chemical's molecular formula is C10H11N3O2 and molecular weight is 205.21. What's more, its systematic name is methyl (1-methyl-1H-benzimidazol-2-yl)carbamate.
Physical properties of Carbamic acid, (1-methyl-1H-benzimidazol-2-yl)-, methyl ester are: (1)ACD/LogP: 1.58; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.51; (4)ACD/LogD (pH 7.4): 1.51; (5)ACD/BCF (pH 5.5): 8.33; (6)ACD/BCF (pH 7.4): 8.33; (7)ACD/KOC (pH 5.5): 158.69; (8)ACD/KOC (pH 7.4): 158.72; (9)#H bond acceptors: 5; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 47.36 Å2; (13)Index of Refraction: 1.615; (14)Molar Refractivity: 55.46 cm3; (15)Molar Volume: 158.8 cm3; (16)Polarizability: 21.98×10-24cm3; (17)Surface Tension: 46.3 dyne/cm; (18)Density: 1.29 g/cm3; (19)Flash Point: 146.1 °C; (20)Enthalpy of Vaporization: 55.95 kJ/mol; (21)Boiling Point: 318 °C at 760 mmHg; (22)Vapour Pressure: 0.000372 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(OC)Nc2nc1ccccc1n2C
(2)InChI: InChI=1S/C10H11N3O2/c1-13-8-6-4-3-5-7(8)11-9(13)12-10(14)15-2/h3-6H,1-2H3,(H,11,12,14)
(3)InChIKey: ICLPKOKRNDSCMF-UHFFFAOYSA-N