8-(1,3-Benzodioxol-5-Ylmethyl)-9-Butyl-2-Fluoro-9H-Purin-6-Amine

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Properties Simple | Detailed

Formula C17H18FN5O2
IUPAC Name 8-(1,3-benzodioxol-5-ylmethyl)-9-butyl-2-fluoro-purin-9-ium-6-amine
Molecular Mass 343.356 g·mol−1
Heat of Formation -169.9 ± 16.7 kJ·mol−1
Dipole Moment 5.05 ± 1.08 D
Volume 392.6 Å 3
Surface Area 347.27 Å 2
HOMO Energy -8.97 ± 0.55 eV
LUMO Energy 2.50 ± eV
Point Group Symmetry C1
Synonyms
  • 8-(1,3-benzodioxol-5-ylmethyl)-9-butyl-2-fluoro-6-purinamine
  • 8-(1,3-benzodioxol-5-ylmethyl)-9-butyl-2-fluoro-purin-6-amine
  • 8-(1,3-benzodioxol-5-ylmethyl)-9-butyl-2-fluoropurin-6-amine
  • 8-benzo[1,3]dioxol-,5-ylmethyl-9-butyl-2-fluoro-9h-purin-6-ylamine
  • [8-(1,3-benzodioxol-5-ylmethyl)-9-butyl-2-fluoro-purin-6-yl]amine
  • pux
InChIKey ARWHTQLGMWHTAZ-UHFFFAOYSA-N
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