9-Butyl-8-(2,5-Dimethoxybenzyl)-2-Fluoro-9H-Purin-6-Amine

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Properties Simple | Detailed

Formula C18H22FN5O2
IUPAC Name 9-butyl-8-[(2,5-dimethoxyphenyl)methyl]-2-fluoro-purin-9-ium-6-amine
Molecular Mass 359.398 g·mol−1
Heat of Formation -245.9 ± 16.7 kJ·mol−1
Dipole Moment 5.72 ± 1.08 D
Volume 428.22 Å 3
Surface Area 343.58 Å 2
HOMO Energy -8.58 ± 0.55 eV
LUMO Energy -0.62 ± eV
Point Group Symmetry C1
Synonyms
  • 9-butyl-8-(2,5-dimethoxy-benzyl)-2-fluoro-9h-purin-6-ylamine
  • 9-butyl-8-[(2,5-dimethoxyphenyl)methyl]-2-fluoro-6-purinamine
  • 9-butyl-8-[(2,5-dimethoxyphenyl)methyl]-2-fluoro-purin-6-amine
  • [9-butyl-8-(2,5-dimethoxybenzyl)-2-fluoro-purin-6-yl]amine
  • pu0
InChIKey PASRTKOWXJDFFV-UHFFFAOYSA-N
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