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CAS Number: 61479-36-5
3,4-dihydro-1H-pyrido[3,2-b]azepin-2(5H)-one

Structure

 3,4-dihydro-1H-pyrido[3,2-b]azepin-2(5H)-one
Name: 3,4-dihydro-1H-pyrido[3,2-b]azepin-2(5H)-one
Synonyms:
General Information
Product Number: 61479365

CAS Registry Number 61479-36-5
Name:
6H-?Pyrido[3,?2-?b]?azepin-?6-?one, 5,?7,?8,?9-?tetrahydro-
2H-Pyrido[3,2-b]azepin-2-one, 1,3,4,5-tetrahydro- (9CI)
1,3,4,5-Tetrahydro-2H-pyrido[3,2-b]azepin-2-one
5,7,8,9-Tetrahydro-6H-pyrido[3,2-b]azepin-6-one

 

Chemical Formula: C9H10N2O
Exact Mass: 162.08
Molecular Weight: 162.19
m/z: 162.08 (100.0%), 163.08 (10.5%)

 

InChI:InChI=1S/C9H10N2O/c12-9-5-1-3-7-8(11-9)4-2-6-10-7/h2,4,6H,1,3,5H2,(H,11,12)

InChI Key:FNDNCBMOHMAWRH-UHFFFAOYSA-N

Canonical SMILES:C1CC2=C(C=CC=N2)NC(=O)C1

 

Thermal Properties Value Condition Note
Melting Point 163 °C Solv: acetone (67-64-1) (1)IC
Melting Point 159-160 °C Solv: isopropyl ether (108-20-3) (2)IC

Specification

98%
References
  1. (1) Jossang-Yanagida, Akino; Journal of Heterocyclic Chemistry 1978, V15(2), P249-51 CAPLUS
  2. (2) Klar, Horst; Archiv der Pharmazie (Weinheim, Germany) 1976, V309(7), P550-7 CAPLUS
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