3-{[6-(Benzylamino)-9-Isopropyl-9H-Purin-2-Yl]Amino}-1-Propanol

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Properties Simple | Detailed

Formula C18H24N6O
IUPAC Name 3-[[6-(benzylamino)-9-isopropyl-purin-9-ium-2-yl]amino]propan-1-ol
Molecular Mass 340.423 g·mol−1
Heat of Formation 94.8 ± 16.7 kJ·mol−1
Dipole Moment 0.77 ± 1.08 D
Volume 429.75 Å 3
Surface Area 381.49 Å 2
HOMO Energy -8.15 ± 0.55 eV
LUMO Energy 0.05 ± eV
Point Group Symmetry C1
Synonyms
  • 3-[[6-(benzylamino)-9-isopropyl-purin-2-yl]amino]propan-1-ol
  • 3-[[6-(phenylmethylamino)-9-propan-2-yl-purin-2-yl]amino]propan-1-ol
  • 3-[[6-(phenylmethylamino)-9-propan-2-ylpurin-2-yl]amino]propan-1-ol
  • 3-[[9-isopropyl-6-(phenylmethylamino)-2-purinyl]amino]propan-1-ol
  • 3-[[9-isopropyl-6-(phenylmethylamino)purin-2-yl]amino]propan-1-ol
  • [6-benzylamino-2-(3-hydroxypropylamino)-9-isopropylpurine
  • bohemine
  • hsci1_000064
InChIKey OPQGFIAVPSXOBO-UHFFFAOYSA-N
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