6-Butoxy-3H-Purin-2-Amine

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Properties Simple | Detailed

Formula C9H13N5O
IUPAC Name 6-butoxypurin-7-ium-2-amine
Molecular Mass 207.232 g·mol−1
Heat of Formation 55.0 ± 16.7 kJ·mol−1
Dipole Moment 5.91 ± 1.08 D
Volume 244.98 Å 3
Surface Area 244.54 Å 2
HOMO Energy -8.67 ± 0.55 eV
LUMO Energy -0.43 ± eV
Point Group Symmetry Cs
Synonyms
  • (6-butoxy-7h-purin-2-yl)amine
  • 1h-purin-2-amine, 6-butoxy-
  • 6-butoxy-7h-purin-2-amine
  • o(6)-butylguanine
  • o(6)-n-butylguanine
  • o6-substituted guanine deriv. 4
  • purine, 2-amino-6-butoxy-
CAS Number(s)
  • 76412-62-9
InChIKey SPHOZXNZJHRHSL-UHFFFAOYSA-N
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