(2E)-3-Methyl-4-(7H-Purin-6-Ylamino)-2-Buten-1-Ol

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Properties Simple | Detailed

Formula C10H13N5O
IUPAC Name (e)-3-methyl-4-(7h-purin-6-ylamino)but-2-en-1-ol
Molecular Mass 219.243 g·mol−1
Heat of Formation 146.3 ± 16.7 kJ·mol−1
Dipole Moment 7.20 ± 1.08 D
Volume 264.13 Å 3
Surface Area 253.44 Å 2
HOMO Energy -8.97 ± 0.55 eV
LUMO Energy -0.57 ± eV
Point Group Symmetry C1
Synonyms
  • (e)-3-methyl-4-(7h-purin-6-ylamino)but-2-en-1-ol
  • 2-buten-1-ol, 3-methyl-4-(1h-purin-6-ylamino)-, (e)-
  • e-isozeatin
  • isozeatin
CAS Number(s)
  • 21623-11-0
  • 41689-49-0
InChIKey GPKGHQSZBVRAPF-FARCUNLSSA-N
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