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CAS Number: 102879-33-4
5,6,7,8-tetrahydroisoquinolin-3(2H)-one

Structure

 5,6,7,8-tetrahydroisoquinolin-3(2H)-one
Name: 5,6,7,8-tetrahydroisoquinolin-3(2H)-one
Synonyms:
General Information
Product Number: 102879334

CAS Registry Number 102879-33-4
Name:
3(2H)?-?Isoquinolinone, 5,?6,?7,?8-?tetrahydro-
3-Isoquinolinol, 5,6,7,8-tetrahydro- (6CI)

 

Chemical Formula: C9H11NO
Exact Mass: 149.08
Molecular Weight: 149.19
m/z: 149.08 (100.0%), 150.09 (9.9%)

 

InChI:InChI=1S/C9H11NO/c11-9-5-7-3-1-2-4-8(7)6-10-9/h5-6H,1-4H2,(H,10,11)

InChI Key:NAVNEMDRBCCOTJ-UHFFFAOYSA-N

Canonical SMILES:C1CCC2=CNC(=O)C=C2C1

 

Thermal Properties Value Condition Note
Melting Point 201-203 °C   (2)IC
Melting Point 199-201 °C Solv: acetone (67-64-1) (1)CAS
Melting Point 198-200 °C   (3)CAS
Melting Point 197-198 °C   (4)CAS

Specification

98%
References
  1. (1) Koltunov, Konstantin Yu.; Journal of Organic Chemistry 2002, V67(25), P8943-8951 CAPLUS
  2. (2) Guss, L. T.; Khimiya Geterotsiklicheskikh Soedinenii 1990, (2), P215-20 CAPLUS
  3. (3) CH 253710 1948 CAPLUS
  4. (4) Basu, Umaprasanna; Justus Liebigs Annalen der Chemie 1935, V516, P243-8 CAPLUS
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