8-(3-Dimethylamino-Propoxy)-1,3,7-Trimethyl-3,7-Dihydro-Purine-2,6-Dione

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Properties Simple | Detailed

Formula C13H21N5O3
IUPAC Name 8-[3-(dimethylamino)propoxy]-1,3,7-trimethyl-purine-2,6-dione
Molecular Mass 295.338 g·mol−1
Heat of Formation -372.2 ± 16.7 kJ·mol−1
Dipole Moment 5.25 ± 1.08 D
Volume 354.67 Å 3
Surface Area 330.2 Å 2
HOMO Energy -8.68 ± 0.55 eV
LUMO Energy 2.84 ± eV
Point Group Symmetry C1
Synonyms
  • 1h-purine-2,6-dione, 8-(3-(dimethylamino)propoxy)-3,7-dihydro-1,3,7-trimethyl-
  • 8-(3-(dimethylamino)propoxy)-3,7-dihydro-1,3,7-trimethyl-1h-purine-2,6-dione
  • 8-(3-dimethylaminopropoxy)-1,3,7-trimethyl-purine-2,6-dione
  • 8-(3-dimethylaminopropoxy)-1,3,7-trimethyl-xanthine
  • 8-(3-dimethylaminopropoxy)-1,3,7-trimethylpurine-2,6-dione
  • bas 01171286
  • cbdive_010304
InChIKey LIYPIYBPJXKPIV-UHFFFAOYSA-N
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