8-Bromo-1H-Purin-6-Amine

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Properties Simple | Detailed

Formula C5H4BrN5
IUPAC Name 8-bromopurin-7-ium-6-amine
Molecular Mass 214.023 g·mol−1
Heat of Formation 333.7 ± 16.7 kJ·mol−1
Dipole Moment 7.87 ± 1.08 D
Volume 175.31 Å 3
Surface Area 179.41 Å 2
HOMO Energy -9.30 ± 0.55 eV
LUMO Energy -1.16 ± eV
Point Group Symmetry Cs
Synonyms
  • (8-bromo-7h-purin-6-yl)amine
  • 6-amino-8-bromopurine
  • 8-bromo adenine
  • 8-bromo-1h-adenine
  • 8-bromo-7h-purin-6-amine
  • 8-bromo-9h-purin-6-ylamine
  • 8-bromoadenine
  • oprea1_043695
CAS Number(s)
  • 6974-78-3
InChIKey FVXHPCVBOXMRJP-UHFFFAOYSA-N
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Elements H C Br N