2-(Methylamino)-7,9-Dihydro-3H-Purine-6,8-Dione

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Properties Simple | Detailed

Formula C6H7N5O2
IUPAC Name 2-(methylamino)-7,9-dihydro-3h-purine-6,8-dione
Molecular Mass 181.152 g·mol−1
Heat of Formation -116.9 ± 16.7 kJ·mol−1
Dipole Moment 7.78 ± 1.08 D
Volume 191.39 Å 3
Surface Area 193.32 Å 2
HOMO Energy -8.83 ± 0.55 eV
LUMO Energy 2.57 ± eV
Point Group Symmetry C1
Synonyms
  • 2-methylamino-7,9-dihydro-3h-purine-6,8-dione
  • 2-methylamino-7,9-dihydro-3h-purine-6,8-quinone
  • 2-methylaminopurine-6,8-diol
  • n2-me-8-oxogua
  • purine-6,8-diol, 2-methylamino-
CAS Number(s)
  • 98141-17-4
InChIKey CVOMRGUGVVOEDQ-UHFFFAOYSA-N
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