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

Molecule SVG Image

Properties Simple | Detailed

Formula C22H29N4O4
IUPAC Name 8-[(e)-2-(3,4-dimethoxyphenyl)vinyl]-7-methyl-1,3-dipropyl-purin-9-ium-5-ide-2,6-dione
Molecular Mass 413.490 g·mol−1
Heat of Formation -457.9 ± 16.7 kJ·mol−1
Dipole Moment 4.96 ± 1.08 D
Volume 498.46 Å 3
Surface Area 449.62 Å 2
HOMO Energy -8.38 ± 0.55 eV
LUMO Energy 2.04 ± 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
QR Code Generate QR Code
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C O N