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CAS Number: 95631-17-7
2-amino-6,7,8,9-tetrahydro-1H-cyclohepta[d]pyrimidin-4(5H)-one

Structure

 2-amino-6,7,8,9-tetrahydro-1H-cyclohepta[d]pyrimidin-4(5H)-one
Name: 2-amino-6,7,8,9-tetrahydro-1H-cyclohepta[d]pyrimidin-4(5H)-one
Synonyms:
General Information
Product Number: 95631177

CAS Registry Number 95631-17-7
Name:
4H-?Cycloheptapyrimidin-?4-?one, 2-?amino-?3,?5,?6,?7,?8,?9-?hexahydro-
4H-Cycloheptapyrimidin-4-one, 2-amino-1,5,6,7,8,9-hexahydro- (9CI)

 

Chemical Formula: C9H13N3O
Exact Mass: 179.11
Molecular Weight: 179.22
m/z: 179.11 (100.0%), 180.11 (9.9%), 180.10 (1.1%)

 

InChI:InChI=1S/C9H13N3O/c10-9-11-7-5-3-1-2-4-6(7)8(13)12-9/h1-5H2,(H3,10,11,12,13)

InChI Key:PUIVOQOHXMBGKB-UHFFFAOYSA-N

Canonical SMILES:C1CCC2=C(CC1)NC(=NC2=O)N

 

Thermal Properties Value Condition Note
Melting Point 246-250 °C   (1)CAS

Specification

98%
References
  1. (1) Guo, Qi; Synlett 2010, (17), P2611-2616 CAPLUS
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