CAS Registry Number: 20637-09-6

Name:

Benzenebutanoic acid, 4-​amino-​, methyl ester
Butyric acid, 4-​(p-​aminophenyl)​-​, methyl ester (7CI,​8CI); 4-​(4-​Aminophenyl)​butanoic acid methyl ester; Methyl 4-​(4-​aminophenyl)​butanoate; Methyl 4-​(4-​aminophenyl)​butyrate; Methyl 4-​(p-​aminophenyl)​butyrate; Methyl 4-​aminobenzenebutanoat​e 

Chemical Formula: C11H15NO2
Exact Mass: 193.11
Molecular Weight: 193.24
m/z: 193.11 (100.0%), 194.11 (12.3%)
Elemental Analysis: C, 68.37; H, 7.82; N, 7.25; O, 16.56

InChI: InChI=1S/C11H15NO2/c1-14-11(13)4-2-3-9-5-7-10(12)8-6-9/h5-8H,2-4,12H2,1H3
InChIKey: CLKHQWJXESOLCJ-UHFFFAOYSA-N
Canonical SMILES : COC(=O)CCCC1=CC=C(C=C1)N

Specification

98%

1. (1) Mosley, Cara A.; Bioorganic & Medicinal Chemistry 2009, V17(17), P6463-6480 CAPLUS
2. (2) Gaudreault, R. C.; Journal of Pharmaceutical Sciences 1988, V77(2), P185-7 CAPLUS
3. (3) WSS: Spectral data were obtained from Wiley Subscription Services, Inc. (US)
4. (4) Everett, J. L.; Journal of the Chemical Society 1953, P2386-92 CAPLUS
5. (5) GB 951628 1964 CAPLUS