3-Isobutyl-1-(3-Methylbutyl)-3,7-Dihydro-1H-Purine-2,6-Dione

Molecule SVG Image

Properties Simple | Detailed

Formula C14H22N4O2
IUPAC Name 3-isobutyl-1-isopentyl-7h-purine-2,6-dione
Molecular Mass 278.350 g·mol−1
Heat of Formation -352.4 ± 16.7 kJ·mol−1
Dipole Moment 2.71 ± 1.08 D
Volume 349.38 Å 3
Surface Area 299.33 Å 2
HOMO Energy -9.03 ± 0.55 eV
LUMO Energy -0.82 ± eV
Point Group Symmetry C1
Synonyms
  • 1-(3-methylbutyl)-3-(2-methylpropyl)-7h-purine-2,6-dione
  • 1-isoamyl-3-isobutyl-7h-purine-2,6-quinone
  • 1-isoamyl-3-isobutylxanthine
  • 1h-purine-2,6-dione, 3,7-dihydro-1-(3-methylbutyl)-3-(2-methylpropyl)-
  • 3-isobutyl-1-isoamylxanthine
  • 3-isobutyl-1-isopentyl-7h-purine-2,6-dione
CAS Number(s)
  • 63908-26-9
InChIKey HRWQHFZQHIUCCC-UHFFFAOYSA-N
QR Code Generate QR Code
Links PubChem ChemSpider
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C O N