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

Molecule SVG Image

Properties Simple | Detailed

Formula C12H22N4O2
IUPAC Name 7-methyl-1,3-dipropyl-8h-purine-4,5,8,9-tetraide-2,6-dione
Molecular Mass 254.329 g·mol−1
Heat of Formation -297.7 ± 16.7 kJ·mol−1
Dipole Moment 3.51 ± 1.08 D
Volume 307.41 Å 3
Surface Area 280.96 Å 2
HOMO Energy -8.92 ± 0.55 eV
LUMO Energy -0.70 ± eV
Point Group Symmetry C1
Synonyms
  • 1,3-dipropyl-7-methylxanthine
  • 1h-purine-2,6-dione, 3,7-dihydro-7-methyl-1,3-dipropyl-
  • 7-methyl-1,3-dipropyl-purine-2,6-dione
  • 7-methyl-1,3-dipropyl-xanthine
  • 7-methyl-1,3-dipropylpurine-2,6-dione
CAS Number(s)
  • 31542-63-9
InChIKey QVAYTZAGDQIWMB-UHFFFAOYSA-N
QR Code Generate QR Code
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C O N