8-Amino-1,3-Dimethyl-3,7-Dihydro-1H-Purine-2,6-Dione

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Properties Simple | Detailed

Formula C7H13N5O2
IUPAC Name 8-amino-1,3-dimethyl-9h-purine-4,5,7,8-tetraide-2,6-dione
Molecular Mass 199.210 g·mol−1
Heat of Formation -147.8 ± 16.7 kJ·mol−1
Dipole Moment 5.82 ± 1.08 D
Volume 211.24 Å 3
Surface Area 206.59 Å 2
HOMO Energy -9.08 ± 0.55 eV
LUMO Energy 2.71 ± eV
Point Group Symmetry Cs
Synonyms
  • 1h-purine-2,6-dione, 8-amino-3,7-dihydro-1,3-dimethyl-
  • 8-amino-1,3-dimethyl-3,7-dihydropurine-2,6-dione
  • 8-amino-1,3-dimethyl-3,9-dihydro-purine-2,6-dione
  • 8-amino-1,3-dimethyl-7h-purine-2,6-quinone
  • 8-aminoteofiliny
  • 8-aminotheophylline
  • bas 03058374
  • oprea1_298061
  • oprea1_442990
  • oprea1_659892
  • stk143103
  • stock1n-18927
  • theophylline, 8-amino-
CAS Number(s)
  • 19410-53-8
InChIKey ZZESAIGPDOBLKZ-UHFFFAOYSA-N
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