CAS Registry Number: 3543-73-5

Name:

1H-​Benzimidazole-​2-​butanoic acid, 5-​amino-​1-​methyl-​, ethyl ester
2-​Benzimidazolebutyric acid, 5-​amino-​1-​methyl-​, ethyl ester (7CI,​8CI); 4-​[5-​Amino-​1-​methylbenzimidazol-​2-​yl]​butanoic acid ethyl ester; Ethyl 1-​methyl-​5-​amino-​1H-​benzimidazole-​2-​butanoate 

Chemical Formula: C14H19N3O2
Exact Mass: 261.15
Molecular Weight: 261.32
m/z: 261.15 (100.0%), 262.15 (15.4%), 263.15 (1.6%), 262.14 (1.1%)

InChI: InChI=1S/C14H19N3O2/c1-3-19-14(18)6-4-5-13-16-11-9-10(15)7-8-12(11)17(13)2/h7-9H,3-6,15H2,1-2H3
InChIKey: JUMGOLYNZBZPKE-UHFFFAOYSA-N
Canonical SMILES : CCOC(=O)CCCC1=NC2=C(N1C)C=CC(=C2)N

Specification

98%

1. (1) Krebs, Dietrich; DD 34727 1964 CAPLUS
2. (2) Anon.; IP.com Journal 2010, V10(10B), P3 CAPLUS