8-(2-Chloro-3,4,5-Trimethoxybenzyl)-9-(4-Pentyn-1-Yl)-9H-Purin-6-Amine

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Properties Simple | Detailed

Formula C20H22ClN5O3
IUPAC Name 8-[(2-chloro-3,4,5-trimethoxy-phenyl)methyl]-9-pent-4-ynyl-purin-9-ium-6-amine
Molecular Mass 415.873 g·mol−1
Heat of Formation 8.0 ± 16.7 kJ·mol−1
Dipole Moment 5.19 ± 1.08 D
Volume 473.5 Å 3
Surface Area 380.87 Å 2
HOMO Energy -8.65 ± 0.55 eV
LUMO Energy 2.66 ± eV
Point Group Symmetry C1
Synonyms
  • 8-(2-chloro-3,4,5-trimethoxy-benzyl)-9-pent-4-ylnyl-9h-purin-6-ylamine
  • 8-[(2-chloro-3,4,5-trimethoxy-phenyl)methyl]-9-pent-4-ynyl-purin-6-amine
  • 8-[(2-chloro-3,4,5-trimethoxyphenyl)methyl]-9-pent-4-ynyl-6-purinamine
  • [8-(2-chloro-3,4,5-trimethoxy-benzyl)-9-pent-4-ynyl-purin-6-yl]amine
  • pu9
InChIKey WUJFGZAAFADPSF-UHFFFAOYSA-N
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Elements H C N O Cl