2,8-Diamino-9-Benzyl-1,9-Dihydro-6H-Purin-6-One

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Properties Simple | Detailed

Formula C12H12N6O
IUPAC Name 2,8-diamino-9-benzyl-3h-purin-6-one
Molecular Mass 256.263 g·mol−1
Heat of Formation 1943.2 ± 16.7 kJ·mol−1
Dipole Moment 7.60 ± 1.08 D
Volume 217.84 Å 3
Surface Area 184.48 Å 2
HOMO Energy -9.93 ± 0.55 eV
LUMO Energy -0.18 ± eV
Point Group Symmetry C1
Synonyms
  • 2,8-diamino-9-(benzyl)-3h-purin-6-one
  • 2,8-diamino-9-(phenylmethyl)-3h-purin-6-one
  • 2-amino-9-benzyl-8-imino-8,9-dihydro-7h-purin-6-ol
  • 6h-purin-6-one, 2,8-diamino-1,9-dihydro-9-(phenylmethyl)-
  • 8-abg
  • 8-amino-9-benzyl-guanine
  • 8-amino-9-benzylguanine
  • aids-140125
  • aids140125
  • nci60_017833
  • nsc650999
CAS Number(s)
  • 100890-94-6
InChIKey DPDYTYOWSIRPMB-UHFFFAOYSA-N
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