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Name |
1H-Benzimidazole-2-carboxylicacid, 5-amino- |
EINECS | N/A |
CAS No. | 372953-13-4 | Density | 1.611 g/cm3 |
PSA | N/A | LogP | N/A |
Solubility | N/A | Melting Point |
N/A |
Formula | C8H8ClN3O2 | Boiling Point | 549 °C at 760 mmHg |
Molecular Weight | 213.62 | Flash Point | 285.8 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
1H-Benzimidazole-2-carboxylicacid, 5-amino- (9CI);5-Amino-1H-benzimidazole-2-carboxylic acid; |
The 1H-Benzimidazole-2-carboxylicacid, 5-amino- has CAS registry number 372953-13-4. It belongs to the product categories of Benzimidazole; Pharmacetical. This chemical's molecular formula is C8H8ClN3O2 and molecular weight is 213.62. What's more, its systematic name is 5-amino-1H-benzimidazole-2-carboxylic acid.
Physical properties of 1H-Benzimidazole-2-carboxylicacid, 5-amino- are: (1)# of Rule of 5 Violations: 0; (2)#H bond acceptors: 5; (3)#H bond donors: 4; (4)#Freely Rotating Bonds: 2; (5)Polar Surface Area: 92 Å2; (6)Index of Refraction: 1.818; (7)Molar Refractivity: 47.78 cm3; (8)Molar Volume: 109.9 cm3; (9)Polarizability: 18.94×10-24cm3; (10)Surface Tension: 106.2 dyne/cm; (11)Density: 1.611 g/cm3; (12)Flash Point: 285.8 °C; (13)Enthalpy of Vaporization: 87.21 kJ/mol; (14)Boiling Point: 549 °C at 760 mmHg; (15)Vapour Pressure: 6.9E-13 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: c1cc2c(cc1N)nc([nH]2)C(=O)O
(2)InChI: InChI=1S/C8H7N3O2/c9-4-1-2-5-6(3-4)11-7(10-5)8(12)13/h1-3H,9H2,(H,10,11)(H,12,13)
(3)InChIKey: JXXWTOCDJBQRHK-UHFFFAOYSA-N