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

Molecule SVG Image

Properties Simple | Detailed

Formula C8H14N4O2
IUPAC Name 1-propyl-7,8-dihydro-3h-purine-4,5,8,9-tetraide-2,6-dione
Molecular Mass 198.222 g·mol−1
Heat of Formation -232.4 ± 16.7 kJ·mol−1
Dipole Moment 3.22 ± 1.08 D
Volume 219.79 Å 3
Surface Area 211.59 Å 2
HOMO Energy -9.45 ± 0.55 eV
LUMO Energy 2.27 ± eV
Point Group Symmetry C1
Synonyms
  • 1-propyl-3,7-dihydropurine-2,6-dione
  • 1-propyl-7h-xanthine
  • 1-propylxanthine
  • 1h-purine-2,6-dione, 3,7-dihydro-1-propyl-
CAS Number(s)
  • 104285-82-7
InChIKey IWBONKMODGBEOX-UHFFFAOYSA-N
QR Code Generate QR Code
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C O N