CAS Registry Number: 57060-86-3

Name:

3-​Isoquinolinecarboxyl​ic acid, 1,​2,​3,​4-​tetrahydro-​, methyl ester
1,​2,​3,​4-​Tetrahydroisoquinoli​ne-​3-​carboxylic acid methyl ester; Methyl 1,​2,​3,​4-​tetrahydroisoquinoli​ne-​3-​carboxylate 

Deleted CAS Registry Numbers: 79815-​19-​3

Chemical Formula: C11H13NO2
Exact Mass: 191.09
Molecular Weight: 191.23
m/z: 191.09 (100.0%), 192.10 (12.1%), 193.10 (1.1%)
Elemental Analysis: C, 69.09; H, 6.85; N, 7.32; O, 16.73

InChI: InChI=1S/C11H13NO2/c1-14-11(13)10-6-8-4-2-3-5-9(8)7-12-10/h2-5,10,12H,6-7H2,1H3
InChIKey: YTNGWXICCHJHKA-UHFFFAOYSA-N
Canonical SMILES : COC(=O)C1CC2=CC=CC=C2CN1

Specification

98%

1. (1) Saxena, Anil K.; Indian Journal of Chemistry 1975, V13(3), P230-7 CAPLUS
2. (2) Grunewald, Gary L.; Journal of Medicinal Chemistry 1988, V31(4), P824-30 CAPLUS