8-Ethoxy-1,3,7-Trimethyl-3,7-Dihydro-Purine-2,6-Dione

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Formula C10H14N4O3
IUPAC Name 8-ethoxy-1,3,7-trimethyl-purine-2,6-dione
Molecular Mass 238.243 g·mol−1
Heat of Formation -382.3 ± 16.7 kJ·mol−1
Dipole Moment 4.86 ± 1.08 D
Volume 271.36 Å 3
Surface Area 257.52 Å 2
HOMO Energy -8.68 ± 0.55 eV
LUMO Energy 2.84 ± eV
Point Group Symmetry Cs
Synonyms
  • 1h-purine-2,6-dione, 8-ethoxy-3,7-dihydro-1,3,7-trimethyl-
  • 1h-purine-2,6-dione, 8-ethoxy-3,7-dihydro-1,3,7-trimethyl- (9ci)
  • 8-ethoxy-1,3,7-trimethyl-purine-2,6-dione
  • 8-ethoxy-1,3,7-trimethyl-xanthine
  • 8-ethoxy-1,3,7-trimethylpurine-2,6-dione
  • 8-ethoxy-3,7-dihydro-1,3,7-trimethyl-1h-purine-2,6-dione
  • 8-ethoxycaffeine
  • bas 02224103
  • caffeine, 8-ethoxy-
  • eoc
  • oprea1_370046
  • oprea1_614067
CAS Number(s)
  • 577-66-2
InChIKey LCYXNYNRVOBSHK-UHFFFAOYSA-N
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