Xanturil

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Properties Simple | Detailed

Formula C12H17N5O3
IUPAC Name 1,3-dimethyl-7-(morpholinomethyl)purine-2,6-dione
Molecular Mass 279.295 g·mol−1
Heat of Formation -322.9 ± 16.7 kJ·mol−1
Dipole Moment 3.26 ± 1.08 D
Volume 321.17 Å 3
Surface Area 284.64 Å 2
HOMO Energy -8.95 ± 0.55 eV
LUMO Energy 2.59 ± eV
Point Group Symmetry C1
Synonyms
  • 1,3-dimethyl-7-(morpholin-4-ylmethyl)purine-2,6-dione
  • 1,3-dimethyl-7-(morpholinomethyl)purine-2,6-dione
  • 1,3-dimethyl-7-(morpholinomethyl)xanthine
  • 1,3-dimethyl-7-morpholinomethylxanthine
  • 1h-purine-2,6-dione, 3,7-dihydro-1,3-dimethyl-7-(4-morpholinylmethyl)-
  • 1h-purine-2,6-dione, 3,7-dihydro-1,3-dimethyl-7-(4-morpholinylmethyl)- (9ci)
  • 2-(1,3-dimethylxanthinyl-7-methyl)-4-methylmorpholine
  • 3,7-dihydro-1,3-dimethyl-7-(morpholinomethyl)-1h-purine-2,6-dione
  • 7-morpholinomethyltheophylline
  • theophylline, 7-(morpholinomethyl)-
  • theophylline, 7-(morpholinomethyl)- (8ci)
CAS Number(s)
  • 5089-89-4
InChIKey HGLLQAPXHCAZBP-UHFFFAOYSA-N
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