1,3-Diethyl-3,7-Dihydro-1H-Purine-2,6-Dione

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Properties Simple | Detailed

Formula C9H12N4O2
IUPAC Name 1,3-diethyl-7h-purine-2,6-dione
Molecular Mass 208.217 g·mol−1
Heat of Formation -243.9 ± 16.7 kJ·mol−1
Dipole Moment 2.99 ± 1.08 D
Volume 241.24 Å 3
Surface Area 224.17 Å 2
HOMO Energy -9.14 ± 0.55 eV
LUMO Energy -0.87 ± eV
Point Group Symmetry C1
Synonyms
  • 1,3-diethyl-7h-purine-2,6-dione
  • 1,3-diethyl-7h-purine-2,6-quinone
  • 1,3-diethylxanthine
  • 1h-purine-2,6-dione, 1,3-diethyl-3,7-dihydro-
  • 1h-purine-2,6-dione, 1,3-diethyl-3,7-dihydro- (9ci)
  • sc 2079
  • xanthine, 1,3-diethyl-
  • xanthine, 1,3-diethyl- (8ci)
CAS Number(s)
  • 5169-95-9
InChIKey GIMNFISWKTZFKJ-UHFFFAOYSA-N
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