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

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Properties Simple | Detailed

Formula C11H16N4O2
IUPAC Name 1,3-dipropyl-7h-purine-2,6-dione
Molecular Mass 236.270 g·mol−1
Heat of Formation -287.1 ± 16.7 kJ·mol−1
Dipole Moment 2.85 ± 1.08 D
Volume 286.23 Å 3
Surface Area 264.1 Å 2
HOMO Energy -9.12 ± 0.55 eV
LUMO Energy 2.44 ± 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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