8-[(E)-2-(4-Methoxy-2,3-Dimethylphenyl)Vinyl]-1,3,7-Trimethyl-3,7-Dihydro-1H-Purine-2,6-Dione

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Properties Simple | Detailed

Formula C19H22N4O3
IUPAC Name 8-[(e)-2-(4-methoxy-2,3-dimethyl-phenyl)vinyl]-1,3,7-trimethyl-purin-9-ium-5-ide-2,6-dione
Molecular Mass 354.403 g·mol−1
Heat of Formation -281.7 ± 16.7 kJ·mol−1
Dipole Moment 5.57 ± 1.08 D
Volume 419.52 Å 3
Surface Area 376.27 Å 2
HOMO Energy -8.61 ± 0.55 eV
LUMO Energy 2.32 ± eV
Point Group Symmetry C1
Synonyms
  • (e)-8-(4-methoxy-2,3-dimethylstyryl)caffeine
  • 1h-purine-2,6-dione, 3,7-dihydro-8-(2-(2,3-dimethyl-4-methoxyphenyl)ethenyl)-1,3,7-trimethyl-,(e)-
  • 8-(2,3-dimethyl-4-methoxystyryl)-1,3,7-trimethylxanthine
  • 8-[(e)-2-(4-methoxy-2,3-dimethyl-phenyl)ethenyl]-1,3,7-trimethyl-purine-2,6-dione
  • 8-[(e)-2-(4-methoxy-2,3-dimethyl-phenyl)vinyl]-1,3,7-trimethyl-purine-2,6-dione
  • 8-[(e)-2-(4-methoxy-2,3-dimethyl-phenyl)vinyl]-1,3,7-trimethyl-xanthine
  • 8-[(e)-2-(4-methoxy-2,3-dimethylphenyl)ethenyl]-1,3,7-trimethylpurine-2,6-dione
  • 8-[(e)-2-(4-methoxy-2,3-dimethylphenyl)vinyl]-1,3,7-trimethylpurine-2,6-dione
  • 8-[2-(4-methoxy-2,3-dimethyl-phenyl)ethenyl]-1,3,7-trimethyl-purine-2,6-dione
  • 8-[2-(4-methoxy-2,3-dimethyl-phenyl)vinyl]-1,3,7-trimethyl-purine-2,6-dione
  • 8-[2-(4-methoxy-2,3-dimethyl-phenyl)vinyl]-1,3,7-trimethyl-xanthine
  • 8-[2-(4-methoxy-2,3-dimethylphenyl)ethenyl]-1,3,7-trimethylpurine-2,6-dione
  • 8-[2-(4-methoxy-2,3-dimethylphenyl)vinyl]-1,3,7-trimethylpurine-2,6-dione
  • kf 21213
  • kf-21213
  • kf21213
CAS Number(s)
  • 155271-17-3
InChIKey SDHWMROLJYZHCX-CSKARUKUSA-N
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