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CAS Number: 857808-68-5
2-(3-aminopropyl)isoquinolin-1(2H)-one hydrochloride

Structure

 2-(3-aminopropyl)isoquinolin-1(2H)-one hydrochloride
Name: 2-(3-aminopropyl)isoquinolin-1(2H)-one hydrochloride
Synonyms:
General Information
Product Number: 857808685

CAS Registry Number 857808-68-5
(Component: 857939-05-0)
Name:
1(2H)?-?Isoquinolinone, 2-?(3-?aminopropyl)?-?, hydrochloride (1:1)
Isocarbostyril, 2-(γ-aminopropyl)-, -HCl (3CI)

 

Chemical Formula: C12H15ClN2O
Exact Mass: 238.09
Molecular Weight: 238.71
m/z: 238.09 (100.0%), 240.08 (32.0%), 239.09 (13.2%), 241.09 (4.2%), 240.09 (1.1%)

 

InChI:InChI=1S/C12H14N2O.ClH/c13-7-3-8-14-9-6-10-4-1-2-5-11(10)12(14)15;/h1-2,4-6,9H,3,7-8,13H2;1H

InChI Key:QRXIDSBMCIXSCU-UHFFFAOYSA-N

Canonical SMILES:C1=CC=C2C(=C1)C=CN(C2=O)CCCN.Cl

 

Thermal Properties Value Condition Note
Melting Point 189-191 °C   (1)CAS

Specification

98%
References
  1. (1) Seshadri, Tiruventaka Rajendra; Journal of the Chemical Society 1929, P2952-9 CAPLUS
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