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Name |
1H-Benzimidazole-2-carboxylicacid, 6-amino-, methyl ester |
EINECS | N/A |
CAS No. | 292070-01-0 | Density | 1.413 g/cm3 |
PSA | 81.00000 | LogP | 1.51290 |
Solubility | N/A | Melting Point |
N/A |
Formula | C9H9N3O2 | Boiling Point | 430.8 °C at 760 mmHg |
Molecular Weight | 191.189 | Flash Point | 214.3 °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-, methyl ester (9CI);5-Amino-1H-benzimidazole-2-carboxylic acidmethyl ester;6-Amino-1H-benzimidazole-2-carboxylic acid methyl ester; |
Article Data | 2 |
The 1H-Benzimidazole-2-carboxylicacid, 6-amino-, methyl ester, with the CAS registry number 292070-01-0, is also known as SBB070328. It belongs to the product categories of Aminoacid; Benzimidazole; Imidazol & Benzimidazole. This chemical's molecular formula is C9H9N3O2 and molecular weight is 191.19. Its IUPAC name is methyl 6-amino-1H-benzimidazole-2-carboxylate.
Physical properties of 1H-Benzimidazole-2-carboxylicacid, 6-amino-, methyl ester: (1)ACD/LogP: 0.36 ; (2)ACD/LogD (pH 5.5): 0.34; (3)ACD/LogD (pH 7.4): 0.36; (4)ACD/BCF (pH 5.5): 1.04; (5)ACD/BCF (pH 7.4): 1.1; (6)ACD/KOC (pH 5.5): 35.34; (7)ACD/KOC (pH 7.4): 37.34; (8)#H bond acceptors: 5; (9)#H bond donors: 3; (10)#Freely Rotating Bonds: 3; (11)Index of Refraction: 1.706; (12)Molar Refractivity: 52.62 cm3; (13)Molar Volume: 135.2 cm3; (14)Surface Tension: 73.1 dyne/cm; (15)Density: 1.413 g/cm3; (16)Flash Point: 214.3 °C; (17)Enthalpy of Vaporization: 68.63 kJ/mol; (18)Boiling Point: 430.8 °C at 760 mmHg; (19)Vapour Pressure: 1.26E-07 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: COC(=O)c1nc2ccc(N)cc2n1
(2)InChI: InChI=1/C9H9N3O2/c1-14-9(13)8-11-6-3-2-5(10)4-7(6)12-8/h2-4H,10H2,1H3,(H,11,12)
(3)InChIKey: KPLHXWFXDADDMP-UHFFFAOYAV