CAS Registry Number: 140112-97-6

Name:

Benzoic acid, 5-​amino-​2,​4-​dimethyl-​, methyl ester

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/c1-6-4-7(2)9(11)5-8(6)10(12)13-3/h4-5H,11H2,1-3H3
InChIKey: UGIWJVRYBRJDGI-UHFFFAOYSA-N
Canonical SMILES : CC1=CC(=C(C=C1C(=O)OC)N)C

Specification

98%

PCT Int. Appl. (2012), WO 2012122391 A1 20120913.

PCT Int. Appl. (2010), WO 2010047982 A1 20100429.