2-Amino-9-(4-Hydroxybutyl)-1,9-Dihydro-6H-Purin-6-One

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Properties Simple | Detailed

Formula C9H13N5O2
IUPAC Name 2-amino-9-(4-hydroxybutyl)-3h-purin-6-one
Molecular Mass 223.232 g·mol−1
Heat of Formation -104.3 ± 16.7 kJ·mol−1
Dipole Moment 10.60 ± 1.08 D
Volume 261.6 Å 3
Surface Area 251.78 Å 2
HOMO Energy -9.19 ± 0.55 eV
LUMO Energy 2.82 ± eV
Point Group Symmetry C1
Synonyms
  • 2-amino-9-(4-hydroxybutyl)-3h-purin-6-one
  • 2-amino-9-(4-hydroxybutyl)hydropurin-6-one
  • 6h-purin-6-one, 2-amino-1,9-dihydro-9-(4-hydroxybutyl)-
  • 9-(4-hydroxybutyl)guanine
CAS Number(s)
  • 23169-37-1
InChIKey DVQJDXCYEPGOCF-UHFFFAOYSA-N
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