1,3-Dimethyl-7-[2-(4-Morpholinyl)-2-Oxoethyl]-3,7-Dihydro-1H-Purine-2,6-Dione

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Properties Simple | Detailed

Formula C13H21N5O4
IUPAC Name 1,3-dimethyl-7-(2-morpholino-2-oxo-ethyl)-8h-purine-4,5,8,9-tetraide-2,6-dione
Molecular Mass 311.337 g·mol−1
Heat of Formation -492.2 ± 16.7 kJ·mol−1
Dipole Moment 5.29 ± 1.08 D
Volume 346.24 Å 3
Surface Area 306.06 Å 2
HOMO Energy -8.89 ± 0.55 eV
LUMO Energy -0.44 ± eV
Point Group Symmetry C1
Synonyms
  • 1,3-dimethyl-7-(2-morpholin-4-yl-2-oxo-ethyl)-3,7-dihydro-purine-2,6-dione
  • 1,3-dimethyl-7-(2-morpholin-4-yl-2-oxo-ethyl)purine-2,6-dione
  • 1,3-dimethyl-7-(2-morpholin-4-yl-2-oxoethyl)purine-2,6-dione
  • 1,3-dimethyl-7-(2-morpholino-2-oxo-ethyl)purine-2,6-dione
  • 1,3-dimethyl-7-(2-morpholino-2-oxoethyl)purine-2,6-dione
  • 1h-purine-2,6-dione, 3,7-dihydro-1,3-dimethyl-7-(2-(4-morpholinyl)-2-oxoethyl)-
  • 3,7-dihydro-1,3-dimethyl-7-(2-(4-morpholinyl)-2-oxoethyl)-1h-purine-2,6-dione
  • 7-(2-keto-2-morpholino-ethyl)-1,3-dimethyl-xanthine
  • bas 01130055
  • morpholine, 4-((1,2,3,6-tetrahydro-1,3-dimethyl-2,6-dioxo-7h-purin-7-yl)acetyl)-
  • n-(7'-theophyllineacetyl)morpholine
  • oprea1_018143
  • oprea1_059682
  • teomorfolin
CAS Number(s)
  • 100706-81-8
InChIKey YFXPYPAVWWDRJC-UHFFFAOYSA-N
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