8-Amino-3-Benzyl-3,7-Dihydro-6H-Purin-6-One

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Properties Simple | Detailed

Formula C12H11N5O
IUPAC Name 8-amino-3-benzyl-2,7-dihydropurine-1,2,4,5,8,9-hexaid-6-one
Molecular Mass 241.249 g·mol−1
Heat of Formation 213.9 ± 16.7 kJ·mol−1
Dipole Moment 6.27 ± 1.08 D
Volume 275.9 Å 3
Surface Area 254.42 Å 2
HOMO Energy -8.80 ± 0.55 eV
LUMO Energy -0.68 ± eV
Point Group Symmetry C1
Synonyms
  • 6h-purin-6-one, 8-amino-3,7-dihydro-3-(phenylmethyl)-
  • 8-abhx
  • 8-amino-3,7-dihydro-3-(phenylmethyl)-6h-purin-6-one
  • 8-amino-3-(benzyl)-7h-purin-6-one
  • 8-amino-3-(phenylmethyl)-7h-purin-6-one
  • 8-amino-3-benzylhypoxanthine
CAS Number(s)
  • 139460-96-1
InChIKey URZYVCKOBOLXIL-UHFFFAOYSA-N
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