8-Cyclopropyl-1,3-Dimethyl-3,7-Dihydro-1H-Purine-2,6-Dione

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Properties Simple | Detailed

Formula C10H12N4O2
IUPAC Name 8-cyclopropyl-1,3-dimethyl-7h-purine-4,5,8,9-tetraide-2,6-dione
Molecular Mass 220.228 g·mol−1
Heat of Formation -118.8 ± 16.7 kJ·mol−1
Dipole Moment 3.97 ± 1.08 D
Volume 251.88 Å 3
Surface Area 240.9 Å 2
HOMO Energy -9.00 ± 0.55 eV
LUMO Energy 2.52 ± eV
Point Group Symmetry C1
Synonyms
  • 1h-purine-2,6-dione, 8-cyclopropyl-3,7-dihydro-1,3-dimethyl-
  • 1h-purine-2,6-dione, 8-cyclopropyl-3,7-dihydro-1,3-dimethyl- (9ci)
  • 8-cyclopropyl theophylline
  • 8-cyclopropyl-1,3-dimethyl-7h-purine-2,6-dione
  • 8-cyclopropyl-1,3-dimethyl-7h-purine-2,6-quinone
  • 8-cyclopropyltheophylline
  • oprea1_786902
  • theophylline, 8-cyclopropyl-
  • xanthine, 8-cyclopropyl-1,3-dimethyl-
CAS Number(s)
  • 35873-47-3
InChIKey SZMWFUBOZRDQPO-UHFFFAOYSA-N
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