1,3-Dipropyl-7-Methyl-8-(3,4-Dimethoxystyryl)Xanthine

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Properties Simple | Detailed

Formula C22H28N4O4
IUPAC Name 8-[(e)-2-(3,4-dimethoxyphenyl)vinyl]-7-methyl-1,3-dipropyl-purin-9-ium-5-ide-2,6-dione
Molecular Mass 412.482 g·mol−1
Heat of Formation -464.0 ± 16.7 kJ·mol−1
Dipole Moment 5.26 ± 1.08 D
Volume 500.57 Å 3
Surface Area 447.12 Å 2
HOMO Energy -8.47 ± 0.55 eV
LUMO Energy 2.13 ± eV
Point Group Symmetry C1
Synonyms
  • (e)-8-(3,4-dimethoxystyryl)-7-methyl-1,3-dipropylxanthine
  • 1h-purine-2,6-dione, 3,7-dihydro-8-(2-(3,4-dimethoxyphenyl)ethenyl)-1,3-dipropyl-7-methyl-, (e)-
  • 8-[(e)-2-(3,4-dimethoxyphenyl)ethenyl]-7-methyl-1,3-dipropyl-purine-2,6-dione
  • 8-[(e)-2-(3,4-dimethoxyphenyl)ethenyl]-7-methyl-1,3-dipropylpurine-2,6-dione
  • 8-[(e)-2-(3,4-dimethoxyphenyl)vinyl]-7-methyl-1,3-dipropyl-purine-2,6-dione
  • 8-[(e)-2-(3,4-dimethoxyphenyl)vinyl]-7-methyl-1,3-dipropyl-xanthine
  • 8-[(e)-2-(3,4-dimethoxyphenyl)vinyl]-7-methyl-1,3-dipropylpurine-2,6-dione
CAS Number(s)
  • 141807-96-7
InChIKey UQGGPCQNHJCOPS-PKNBQFBNSA-N
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