1,8-dimethyl-3-phenyl-7H-purine-2,6-dione

Modify Date: 2025-08-27 18:30:36

1,8-dimethyl-3-phenyl-7H-purine-2,6-dione Structure
1,8-dimethyl-3-phenyl-7H-purine-2,6-dione structure
Common Name 1,8-dimethyl-3-phenyl-7H-purine-2,6-dione
CAS Number 72702-76-2 Molecular Weight 256.26000
Density 1.397g/cm3 Boiling Point 530.8ºC at 760 mmHg
Molecular Formula C13H12N4O2 Melting Point N/A
MSDS N/A Flash Point 274.8ºC

 Names

Name 1,8-dimethyl-3-phenyl-7H-purine-2,6-dione
Synonym More Synonyms

 Chemical & Physical Properties

Density 1.397g/cm3
Boiling Point 530.8ºC at 760 mmHg
Molecular Formula C13H12N4O2
Molecular Weight 256.26000
Flash Point 274.8ºC
Exact Mass 256.09600
PSA 72.68000
LogP 0.72090
Index of Refraction 1.66
InChIKey IUBYSRVXJPSEMI-UHFFFAOYSA-N
SMILES Cc1nc2c([nH]1)c(=O)n(C)c(=O)n2-c1ccccc1

 Synonyms

D 4026
1H-Purine-2,6-dione,3,7-dihydro-1,8-dimethyl-3-phenyl
Xanthine,1,8-dimethyl-3-phenyl
1,8-Dimethyl-3-phenylxanthine
1,8-dimethyl-3-phenyl-3,7-dihydro-1h-purine-2,6-dione
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