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

Molecule SVG Image

Properties Simple | Detailed

Formula C18H30N4O2
IUPAC Name 8-(dicyclopropylmethyl)-1,3-dipropyl-7h-purine-4,5,8,9-tetraide-2,6-dione
Molecular Mass 334.456 g·mol−1
Heat of Formation -169.4 ± 16.7 kJ·mol−1
Dipole Moment 3.83 ± 1.08 D
Volume 422.2 Å 3
Surface Area 370.09 Å 2
HOMO Energy -8.91 ± 0.55 eV
LUMO Energy -0.36 ± 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
QR Code Generate QR Code
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C O N