1H-Benzimidazole-2-carboxylicacid, 6-amino-, methyl ester supplier

Name
5-AMINO-1H-BENZOIMIDAZOLE-2-CARBOXYLIC ACID METHYL ESTER
EINECS
CAS No. 292070-01-0
Article Data2
CAS DataBase
Density 1.413 g/cm³
Solubility
Melting Point
Formula C₉H₉N₃O₂
Boiling Point 430.8 °C at 760 mmHg
Molecular Weight 191.189
Flash Point 214.3 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
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;
PSA 81.00000
LogP 1.51290

1H-Benzimidazole-2-carboxylicacid, 6-amino-, methyl ester Specification

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

Product Name

5-AMINO-1H-BENZOIMIDAZOLE-2-CARBOXYLIC ACID METHYL ESTER

1H-Benzimidazole-2-carboxylicacid, 6-amino-, methyl ester Specification

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