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CAS Number: 1309955-19-8
1-oxo-1,2,3,4-tetrahydroisoquinoline-6-carbonitrile

Structure

 1-oxo-1,2,3,4-tetrahydroisoquinoline-6-carbonitrile
Name: 1-oxo-1,2,3,4-tetrahydroisoquinoline-6-carbonitrile
Synonyms:
General Information
Product Number: 1309955198

CAS Registry Number 1309955-19-8
Name:
6-?Isoquinolinecarbonit?rile, 1,?2,?3,?4-?tetrahydro-?1-?oxo-

 

Chemical Formula: C10H8N2O
Exact Mass: 172.06
Molecular Weight: 172.18
m/z: 172.06 (100.0%), 173.07 (10.9%)

 

InChI:InChI=1S/C10H8N2O/c11-6-7-1-2-9-8(5-7)3-4-12-10(9)13/h1-2,5H,3-4H2,(H,12,13)

InChI Key:KWKIILPTVPFJCV-UHFFFAOYSA-N

Canonical SMILES:C1CNC(=O)C2=C1C=C(C=C2)C#N

 

Thermal Properties Value Condition Note
Melting Point 225.4-227.6 °C (decomp)   (1)CAS

Specification

98%
References
  1. (1) Ortega, Raquel; Bioorganic & Medicinal Chemistry Letters 2011, V21(9), P2670-2674 CAPLUS
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