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CAS Number: 105400-81-5
2-(1,2,3,4-tetrahydroisoquinolin-1-yl)acetic acid

Structure

2-(1,2,3,4-tetrahydroisoquinolin-1-yl)acetic acid
Name: 2-(1,2,3,4-tetrahydroisoquinolin-1-yl)acetic acid
Synonyms:
General Information
Product Number: 105400815

CAS Registry Number 105400-81-5
Name:
1-​Isoquinolineacetic acid, 1,​2,​3,​4-​tetrahydro-
1,2,3,4-Tetrahydroisoquinoline-1-acetic acid
2-(1,2,3,4-Tetrahydro-1-isoquinolinyl)acetic acid

 

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%)

 

InChI:InChI=1S/C11H13NO2/c13-11(14)7-10-9-4-2-1-3-8(9)5-6-12-10/h1-4,10,12H,5-7H2,(H,13,14)

InChI Key:BUAVPRGEIAVFBF-UHFFFAOYSA-N

Canonical SMILES:C1CNC(C2=CC=CC=C21)CC(=O)O

 

Thermal Properties Value Condition Note
Melting Point 244-245 °C Solv: methanol (67-56-1); N,N-dimethylformamide (68-12-2) (1)IC

Specification

98%

References
  1. (1) Pelletier, Jeffrey C.; Synthesis 1987, (5), P474-7 CAPLUS
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