1,3-Diallyl-8-Cyclohexylxanthine

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Properties Simple | Detailed

Formula C17H26N4O2
IUPAC Name 1,3-diallyl-8-cyclohexyl-7h-purine-4,5,8,9-tetraide-2,6-dione
Molecular Mass 318.414 g·mol−1
Heat of Formation -147.1 ± 16.7 kJ·mol−1
Dipole Moment 4.30 ± 1.08 D
Volume 389.83 Å 3
Surface Area 343.88 Å 2
HOMO Energy -8.94 ± 0.55 eV
LUMO Energy -0.38 ± eV
Point Group Symmetry C1
Synonyms
  • 1,3-diallyl-8-cyclohexyl-7h-purine-2,6-dione
  • 1,3-diallyl-8-cyclohexyl-7h-purine-2,6-quinone
  • 8-cyclohexyl-1,3-di(prop-2-enyl)-7h-purine-2,6-dione
InChIKey JPIQZRAYPNKFEI-UHFFFAOYSA-N
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