6-Amino-3-(3-Methyl-2-Buten-1-Yl)-7H-Purin-3-Ium

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Properties Simple | Detailed

Formula C10H14N5+
IUPAC Name 3-(3-methylbut-2-enyl)purine-1,7,9-triium-6-amine
Molecular Mass 204.252 g·mol−1
Heat of Formation 299.8 ± 16.7 kJ·mol−1
Dipole Moment 6.08 ± 1.08 D
Volume 251.35 Å 3
Surface Area 239.36 Å 2
HOMO Energy -8.66 ± 0.55 eV
LUMO Energy 2.20 ± eV
Point Group Symmetry C1
Synonyms
  • 3-(3-methylbut-2-enyl)-7h-purin-3-ium-6-amine
  • [3-(3-methylbut-2-enyl)-7h-purin-3-ium-6-yl]amine
CAS Number(s)
  • 10091-84-6
InChIKey PFLZGJUQPYLVMP-UHFFFAOYSA-O
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Elements H C N