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| CAS No.: | 5993-91-9 |
|---|---|
| Name: | 2-(AMINOMETHYL)BENZIMIDAZOLE DIHYDRO- |
| Article Data: | 12 |
| Molecular Structure: | |
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| Formula: | C8H9N3.2(HCl) |
| Molecular Weight: | 220.101 |
| Synonyms: | 1H-Benzimidazole-2-methanamine,dihydrochloride (9CI);Benzimidazole, 2-(aminomethyl)-, dihydrochloride(7CI,8CI);(1H-Benzimidazol-2-yl)methanamine dihydrochloride;2-Aminomethyl-1H-benzimidazole dihydrochloride;2-Aminomethylbenzimidazoledihydrochloride; |
| EINECS: | 227-820-3 |
| Melting Point: | 264 °C (dec.)(lit.) |
| Boiling Point: | 214.5 °C |
| Flash Point: | 384.3 °C at 760 mmHg |
| Safety: | 22-24/25 |
| PSA: | 63.93000 |
| LogP: | 3.26160 |
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- Total:35 Page 1 of 1 1
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Specification
The 1H-Benzimidazole-2-methanamine dihydrochloride with its cas register number is 5993-91-9. It also can be called as 1H-Benzimidazole-2-methanamine,hydrochloride (1:2) and the Systematic name about this chemical is 1-(1H-benzimidazol-2-yl)methanamine dihydrochloride. It belongs to the following product categories, such as Benzimidazoles, Building Blocks, Heterocyclic Building Blocks and so on. When you are using it, please avoid contact with skin and eyes and not breathe dust.
Physical properties about 1H-Benzimidazole-2-methanamine dihydrochloride are: (1)(1)ACD/LogP: 0.72; (2)ACD/LogD (pH 5.5): -1.68; (3)ACD/LogD (pH 7.4): 0.04; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 1; (7)ACD/KOC (pH 7.4): 12.09; (8)#H bond acceptors: 3; (9)#H bond donors: 3; (10)#Freely Rotating Bonds: 2; (11)Polar Surface Area: 21.06Å2; (13)Enthalpy of Vaporization: 63.3 kJ/mol; (14)Vapour Pressure: 4.12E-06 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: Cl.Cl.n2c1ccccc1nc2CN
(2)InChI: InChI=1/C8H9N3.2ClH/c9-5-8-10-6-3-1-2-4-7(6)11-8;;/h1-4H,5,9H2,(H,10,11);2*1H
(3)InChIKey: HAEYZZSSSUIZAN-UHFFFAOYAK
(4)Std. InChI: InChI=1S/C8H9N3.2ClH/c9-5-8-10-6-3-1-2-4-7(6)11-8;;/h1-4H,5,9H2,(H,10,11);2*1H
(5)Std. InChIKey: HAEYZZSSSUIZAN-UHFFFAOYSA-N