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CAS Number: 93117-07-8
5-aminoisoquinolin-1(2H)-one hydrochloride

Structure

5-aminoisoquinolin-1(2H)-one hydrochloride
Name: 5-aminoisoquinolin-1(2H)-one hydrochloride
Synonyms:
General Information
Product Number: 93117078

CAS Registry Number 93117-07-8
(Component: 93117-08-9)
Name:
1(2H)?-?Isoquinolinone, 5-?amino-?, hydrochloride (1:1)
1(2H)-Isoquinolinone, 5-amino-, monohydrochloride (9CI)
Isocarbostyril, 5-amino-, hydrochloride (7CI)
5-AIQ

 

Chemical Formula: C9H9ClN2O
Exact Mass: 196.04
Molecular Weight: 196.63
m/z: 196.04 (100.0%), 198.04 (32.2%), 197.04 (10.5%), 199.04 (3.2%)

 

InChI:InChI=1S/C9H8N2O.ClH/c10-8-3-1-2-7-6(8)4-5-11-9(7)12;/h1-5H,10H2,(H,11,12);1H

InChI Key:KWNLARCFSYAXLT-UHFFFAOYSA-N

Canonical SMILES:C1=CC2=C(C=CNC2=O)C(=C1)N.Cl

 

Thermal Properties Value Condition Note
Melting Point 248-252 °C (decomp)   (1)CAS

Specification

98%

References
  1. (1) Sunderland, Peter T.; Journal of Medicinal Chemistry 2011, V54(7), P2049-2059 CAPLUS
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