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

Molecule SVG Image

Properties Simple | Detailed

Formula C9H16N4O2
IUPAC Name 3-methyl-1-propyl-7,8-dihydropurine-4,5,8,9-tetraide-2,6-dione
Molecular Mass 212.249 g·mol−1
Heat of Formation -234.2 ± 16.7 kJ·mol−1
Dipole Moment 2.80 ± 1.08 D
Volume 240.37 Å 3
Surface Area 228.44 Å 2
HOMO Energy -9.13 ± 0.55 eV
LUMO Energy -0.89 ± eV
Point Group Symmetry C1
Synonyms
  • 1-methyl-3-propylxanthine
  • 1-mpx
  • 1h-purine-2,6-dione, 3,7-dihydro-3-methyl-1-propyl-
  • 3-methyl-1-propyl-7h-purine-2,6-dione
  • 3-methyl-1-propyl-7h-purine-2,6-quinone
CAS Number(s)
  • 72117-78-3
InChIKey UEGOAAXVUJWIHJ-UHFFFAOYSA-N
QR Code Generate QR Code
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C O N