8-Tert-Butyl-3H-Purin-6-Amine

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Properties Simple | Detailed

Formula C9H13N5
IUPAC Name 8-tert-butylpurin-7-ium-8-ylium-6-amine
Molecular Mass 191.233 g·mol−1
Heat of Formation 198.1 ± 16.7 kJ·mol−1
Dipole Moment 7.93 ± 1.08 D
Volume 235.24 Å 3
Surface Area 223.32 Å 2
HOMO Energy -9.05 ± 0.55 eV
LUMO Energy 2.54 ± eV
Point Group Symmetry C1
Synonyms
  • (8-tert-butyl-7h-purin-6-yl)amine
  • 1h-purin-6-amine, 8-(1,1-dimethylethyl)-
  • 8-t-butyladenine
  • 8-tert-butyl-7h-purin-6-amine
  • 8-tert-butyladenine
CAS Number(s)
  • 50609-20-6
InChIKey LSOOEJSTVYZUEI-UHFFFAOYSA-N
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Elements H C N