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CAS Number: 58142-49-7
3-chloroisoquinolin-5-amine

Structure

3-chloroisoquinolin-5-amine
Name: 3-chloroisoquinolin-5-amine
Synonyms:
General Information
Product Number: 58142497

CAS Registry Number 58142-49-7
Name:
5-​Isoquinolinamine, 3-​chloro-
3-Chloroisoquinolin-5-amine

 

Chemical Formula: C9H7ClN2
Exact Mass: 178.03
Molecular Weight: 178.62
m/z: 178.03 (100.0%), 180.03 (32.0%), 179.03 (10.5%), 181.03 (3.1%)

 

InChI:InChI=1S/C9H7ClN2/c10-9-4-7-6(5-12-9)2-1-3-8(7)11/h1-5H,11H2

InChI Key:ZITUQCQEDBPHMJ-UHFFFAOYSA-N

Canonical SMILES:C1=CC2=CN=C(C=C2C(=C1)N)Cl

Specification

98%

References
  1. (1) Perner, Richard J.; Journal of Medicinal Chemistry 2007, V50(15), P3651-3660 CAPLUS
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