1H-Purine-2,6-dione,3,9-dihydro-1,3-dimethyl-8-(4-nitrophenyl)-

Modify Date: 2025-08-27 18:06:02

1H-Purine-2,6-dione,3,9-dihydro-1,3-dimethyl-8-(4-nitrophenyl)- Structure
1H-Purine-2,6-dione,3,9-dihydro-1,3-dimethyl-8-(4-nitrophenyl)- structure
Common Name 1H-Purine-2,6-dione,3,9-dihydro-1,3-dimethyl-8-(4-nitrophenyl)-
CAS Number 1094-63-9 Molecular Weight 301.25800
Density 1.506g/cm3 Boiling Point 597.1ºC at 760mmHg
Molecular Formula C13H11N5O4 Melting Point N/A
MSDS N/A Flash Point 314.9ºC

 Names

Name 1,3-dimethyl-8-(4-nitrophenyl)-7H-purine-2,6-dione
Synonym More Synonyms

 Chemical & Physical Properties

Density 1.506g/cm3
Boiling Point 597.1ºC at 760mmHg
Molecular Formula C13H11N5O4
Molecular Weight 301.25800
Flash Point 314.9ºC
Exact Mass 301.08100
PSA 118.50000
LogP 1.05870
Vapour Pressure 3.2E-14mmHg at 25°C
Index of Refraction 1.665
InChIKey GZKNQJOZTRVLIX-UHFFFAOYSA-N
SMILES Cn1c(=O)c2[nH]c(-c3ccc([N+](=O)[O-])cc3)nc2n(C)c1=O

 Synonyms

N1,N3-dimethyl-8-p-nitrophenylxanthine
8-p-Nitrophenyltheophyllin
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