1,3-Dibutyl-7-(2-Oxopropyl)-3,7-Dihydro-1H-Purine-2,6-Dione

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Properties Simple | Detailed

Formula C16H24N4O3
IUPAC Name 7-acetonyl-1,3-dibutyl-purine-2,6-dione
Molecular Mass 320.387 g·mol−1
Heat of Formation -510.3 ± 16.7 kJ·mol−1
Dipole Moment 3.81 ± 1.08 D
Volume 399.19 Å 3
Surface Area 359.32 Å 2
HOMO Energy -8.94 ± 0.55 eV
LUMO Energy 2.56 ± eV
Point Group Symmetry C1
Synonyms
  • 1,3-di-n-butyl-7-(2′-oxopropyl)xanthine
  • 1,3-di-n-butyl-7-(2-oxopropyl)xanthine
  • 1,3-dibutyl-7-(2-oxopropyl)purine-2,6-dione
  • 1h-purine-2,6-dione, 3,7-dihydro-1,3-dibutyl-7-(2-oxopropyl)-
  • 3,7-dihydro-1,3-dibutyl-7-(2-oxopropyl)-1h-purine-2,6-dione
  • 7-acetonyl-1,3-dibutyl-purine-2,6-dione
  • 7-acetonyl-1,3-dibutyl-xanthine
  • 7-acetonyl-1,3-dibutylpurine-2,6-dione
  • 7-acetonyl-1,3-dibutylxanthine
  • brl 30892
  • brl-30892
  • denbufilina [spanish]
  • denbufylline
  • denbufylline [ban:inn]
  • denbufyllinum [latin]
  • hsci1_000304
CAS Number(s)
  • 57076-71-8
InChIKey HJPRDDKCXVCFOH-UHFFFAOYSA-N
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