9-Butyl-8-(2-Chloro-3,4,5-Trimethoxybenzyl)-9H-Purin-6-Amine

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Properties Simple | Detailed

Formula C19H24ClN5O3
IUPAC Name 9-butyl-8-[(2-chloro-3,4,5-trimethoxy-phenyl)methyl]purin-9-ium-6-amine
Molecular Mass 405.879 g·mol−1
Heat of Formation -252.0 ± 16.7 kJ·mol−1
Dipole Moment 4.87 ± 1.08 D
Volume 468.87 Å 3
Surface Area 370.82 Å 2
HOMO Energy -8.63 ± 0.55 eV
LUMO Energy -0.37 ± eV
Point Group Symmetry C1
Synonyms
  • 9-butyl-8-(2-chloro-3,4,5-trimethoxy-benzyl)-9h-purin-6-ylamine
  • 9-butyl-8-[(2-chloro-3,4,5-trimethoxy-phenyl)methyl]purin-6-amine
  • 9-butyl-8-[(2-chloro-3,4,5-trimethoxyphenyl)methyl]-6-purinamine
  • [9-butyl-8-(2-chloro-3,4,5-trimethoxy-benzyl)purin-6-yl]amine
  • pu8
InChIKey IVPCTHKPOPQMSX-UHFFFAOYSA-N
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