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

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Properties Simple | Detailed

Formula C17H20N4O2
IUPAC Name 8-phenyl-1,3-dipropyl-7h-purine-2,6-dione
Molecular Mass 312.366 g·mol−1
Heat of Formation -185.4 ± 16.7 kJ·mol−1
Dipole Moment 4.00 ± 1.08 D
Volume 378.74 Å 3
Surface Area 342.99 Å 2
HOMO Energy -8.92 ± 0.55 eV
LUMO Energy 2.06 ± eV
Point Group Symmetry C1
Synonyms
  • 1,3-dipropyl-8-phenylxanthine
  • 1h-purine-2,6,dione, 3,7-dihydro-1,3-dipropyl-8-phenyl-
  • 1h-purine-2,6-dione, 3,7-dihydro-8-phenyl-1,3-dipropyl-
  • 3,7-dihydro-1,3-dipropyl-8-phenyl-1h-purine-2,6,dione
  • 8-phenyl-1,3-dipropyl-7h-purine-2,6-dione
  • 8-phenyl-1,3-dipropyl-7h-purine-2,6-quinone
  • pdsp1_000990
  • pdsp2_000974
CAS Number(s)
  • 85872-53-3
InChIKey CLIGSMOZKDCDRZ-UHFFFAOYSA-N
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