9-Butyl-8-[(3-Methoxyphenyl)Methyl]Purin-6-Amine

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Properties Simple | Detailed

Formula C17H21N5O
IUPAC Name 9-butyl-8-[(3-methoxyphenyl)methyl]purin-6-amine
Molecular Mass 311.382 g·mol−1
Heat of Formation 88.8 ± 16.7 kJ·mol−1
Dipole Moment 4.01 ± 1.08 D
Volume 385.55 Å 3
Surface Area 340.09 Å 2
HOMO Energy -8.69 ± 0.55 eV
LUMO Energy 2.78 ± eV
Point Group Symmetry C1
Synonyms
  • 9-butyl-8-(3-methoxybenzyl)-9h-purin-6-amine
  • 9-butyl-8-[(3-methoxyphenyl)methyl]-6-purinamine
  • [9-butyl-8-(3-methoxybenzyl)purin-6-yl]amine
  • pu5
InChIKey BWLWUGBHOXIUBP-UHFFFAOYSA-N
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