9-(N-Butyl)-8-((3,4,5-Trimethoxyphenyl)Methyl)Adenine

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Properties Simple | Detailed

Formula C19H25N5O3
IUPAC Name 9-butyl-8-[(3,4,5-trimethoxyphenyl)methyl]purin-9-ium-6-amine
Molecular Mass 371.434 g·mol−1
Heat of Formation -214.3 ± 16.7 kJ·mol−1
Dipole Moment 3.58 ± 1.08 D
Volume 454.03 Å 3
Surface Area 387.14 Å 2
HOMO Energy -8.73 ± 0.55 eV
LUMO Energy -0.56 ± eV
Point Group Symmetry C1
Synonyms
  • 9-butyl-8-(3,4,5-trimethoxybenzyl)-9h-purin-6-amine
  • 9-butyl-8-[(3,4,5-trimethoxyphenyl)methyl]-6-purinamine
  • [9-butyl-8-(3,4,5-trimethoxybenzyl)purin-6-yl]amine
  • pu3
InChIKey TUOSCZDRWRYPRS-UHFFFAOYSA-N
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