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

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Properties Simple | Detailed

Formula C11H20N4O2
IUPAC Name 1,3-dipropyl-7,8-dihydropurine-4,5,8,9-tetraide-2,6-dione
Molecular Mass 240.302 g·mol−1
Heat of Formation -287.2 ± 16.7 kJ·mol−1
Dipole Moment 2.83 ± 1.08 D
Volume 285.88 Å 3
Surface Area 263.75 Å 2
HOMO Energy -9.11 ± 0.55 eV
LUMO Energy -0.86 ± eV
Point Group Symmetry C1
Synonyms
  • 1,3-dipropyl-7h-purine-2,6-dione
  • 1,3-dipropyl-7h-purine-2,6-quinone
  • 1,3-dipropylxanthine
  • 1h-purine-2,6-dione, 3,7-dihydro-1,3-dipropyl-
  • pdsp1_000328
  • pdsp1_000983
  • pdsp1_001233
  • pdsp2_000326
  • pdsp2_000967
  • pdsp2_001217
CAS Number(s)
  • 31542-62-8
InChIKey MJVIGUCNSRXAFO-UHFFFAOYSA-N
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