7-Benzyl-3-Isobutyl-3,7-Dihydro-1H-Purine-2,6-Dione

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Properties Simple | Detailed

Formula C16H18N4O2
IUPAC Name 7-benzyl-3-isobutyl-8h-purine-4,5,8,9-tetraide-2,6-dione
Molecular Mass 298.340 g·mol−1
Heat of Formation -162.3 ± 16.7 kJ·mol−1
Dipole Moment 4.22 ± 1.08 D
Volume 356.93 Å 3
Surface Area 303.03 Å 2
HOMO Energy -8.99 ± 0.55 eV
LUMO Energy -0.88 ± eV
Point Group Symmetry C1
Synonyms
  • 1h-purine-2,6-dione, 3,7-dihydro-3-(2-methylpropyl)-1-(phenylmethyl)-
  • 3-(2-methylpropyl)-7-(phenylmethyl)purine-2,6-dione
  • 3-isobutyl-7-(phenylmethyl)purine-2,6-dione
  • 7-(benzyl)-3-isobutyl-xanthine
  • 7-benzyl-3-(2-methylpropyl)xanthine
  • bmpx
CAS Number(s)
  • 63908-36-1
InChIKey XDAUWUWDCMOPGL-UHFFFAOYSA-N
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