8-(Dicyclopropylmethyl)-1,3-Dipropyl-3,7-Dihydro-1H-Purine-2,6-Dione

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Properties Simple | Detailed

Formula C18H26N4O2
IUPAC Name 8-(dicyclopropylmethyl)-1,3-dipropyl-7h-purine-4,5,8,9-tetraide-2,6-dione
Molecular Mass 330.425 g·mol−1
Heat of Formation -172.7 ± 16.7 kJ·mol−1
Dipole Moment 3.87 ± 1.08 D
Volume 425.27 Å 3
Surface Area 371.82 Å 2
HOMO Energy -8.92 ± 0.55 eV
LUMO Energy 2.63 ± eV
Point Group Symmetry C1
Synonyms
  • 1,3-dipropyl-8-(2-methylcyclopropyl)xanthine
  • 1h-purine-2,6-dione, 8-(dicyclopropylmethyl)-3,7-dihydro-1,3-dipropyl-
  • 8-(2-methylcyclopropyl)-1,3-dipropylxanthine
  • 8-(dicyclopropylmethyl)-1,3-dipropyl-7h-purine-2,6-dione
  • 8-(dicyclopropylmethyl)-1,3-dipropyl-7h-purine-2,6-quinone
  • 8-(dicyclopropylmethyl)-1,3-dipropylxanthine
  • 8-mcpdpx
  • kf 15372
CAS Number(s)
  • 131080-42-7
InChIKey OEPXIQLEKWHAGE-UHFFFAOYSA-N
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