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| CAS No.: | 10394-38-4 |
|---|---|
| Name: | 1-METHYL-1H-BENZOIMIDAZOL-5-YLAMINE TRIHYDROCHLORIDE |
| Molecular Structure: | |
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| Formula: | C8H9N3 |
| Molecular Weight: | 147.18 |
| Synonyms: | Benzimidazole,5-amino-1-methyl- (6CI,8CI);(1-Methyl-1H-benzimidazol-5-yl)amine;1-Methyl-5-aminobenzimidazole;5-Amino-1-methyl-1H-benzimidazole;5-Amino-1-methylbenzimidazole;NSC 240760;1-Methyl-1H-benzimidazol-5-amine; |
| Density: | 1.27 g/cm3 |
| Melting Point: | 158-159 °C |
| Boiling Point: | 348.6 °C at 760 mmHg |
| Flash Point: | 164.6 °C |
| Risk Codes: | 41 |
| Safety: | 26-39 |
| PSA: | 43.84000 |
| LogP: | 1.73670 |
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Specification
The 1H-Benzimidazol-5-amine,1-methyl-, with the CAS registry number 10394-38-4, is also known as 5-Amino-1-methyl-1H-benzimidazole. This chemical's molecular formula is C8H9N3 and molecular weight is 147.18. What's more, its IUPAC name is 1-methylbenzimidazol-5-amine.
Physical properties of 1H-Benzimidazol-5-amine,1-methyl- are: (1)ACD/LogP: 0.16; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 3; (4)#H bond donors: 2; (5)#Freely Rotating Bonds: 1; (6)Polar Surface Area: 21.06 Å2; (7)Index of Refraction: 1.667; (8)Molar Refractivity: 43.05 cm3; (9)Molar Volume: 115.5 cm3; (10)Polarizability: 17.06×10-24cm3; (11)Surface Tension: 49.8 dyne/cm; (12)Density: 1.27 g/cm3; (13)Flash Point: 164.6 °C; (14)Enthalpy of Vaporization: 59.3 kJ/mol; (15)Boiling Point: 348.6 °C at 760 mmHg; (16)Vapour Pressure: 4.97E-05 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CN1C=NC2=C1C=CC(=C2)N
(2)InChI: InChI=1S/C8H9N3/c1-11-5-10-7-4-6(9)2-3-8(7)11/h2-5H,9H2,1H3
(3)InChIKey: IWBGBYZGEQUDBT-UHFFFAOYSA-N