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

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Properties Simple | Detailed

Formula C8H10N4O2
IUPAC Name 1-propyl-3,7-dihydropurine-2,6-dione
Molecular Mass 194.191 g·mol−1
Heat of Formation -232.4 ± 16.7 kJ·mol−1
Dipole Moment 3.24 ± 1.08 D
Volume 219.55 Å 3
Surface Area 211.64 Å 2
HOMO Energy -9.45 ± 0.55 eV
LUMO Energy -1.03 ± eV
Point Group Symmetry C1
Synonyms
  • 1-propyl-3,7-dihydropurine-2,6-dione
  • 1-propyl-7h-xanthine
  • 1-propylxanthine
  • 1h-purine-2,6-dione, 3,7-dihydro-1-propyl-
CAS Number(s)
  • 104285-82-7
InChIKey IWBONKMODGBEOX-UHFFFAOYSA-N
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