CAS Registry Number: 40800-65-5

Name:

Benzoic acid, 4-​amino-​3-​methyl-​, ethyl ester
m-​Toluic acid, 4-​amino-​, ethyl ester (6CI); 4-​Carboethoxy-​2-​methyl aniline; Ethyl 4-​amino-​3-​methylbenzoate; NSC 136731 

Chemical Formula: C10H13NO2
Exact Mass: 179.09
Molecular Weight: 179.22
m/z: 179.09 (100.0%), 180.10 (11.0%), 181.10 (1.0%)
Elemental Analysis: C, 67.02; H, 7.31; N, 7.82; O, 17.85

InChI: InChI=1S/C10H13NO2/c1-3-13-10(12)8-4-5-9(11)7(2)6-8/h4-6H,3,11H2,1-2H3
InChIKey: JUKRQDBAJXYXIR-UHFFFAOYSA-N
Canonical SMILES : CCOC(=O)C1=CC(=C(C=C1)N)C

Specification

98%

1. (1) Bhuiyan, M. Delower H.; European Journal of Organic Chemistry 2010, (24), P4662-4670, S4662/1-S4662/40 CAPLUS
2. (2) Song, Wen-Lan; Acta Crystallographica, Section E: Structure Reports Online 2008, V64(5), Po785, o785/1-o785/8 CAPLUS