8102 Cb

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Properties Simple | Detailed

Formula C20H27N5O3
IUPAC Name 8-benzyl-7-[2-[ethyl(2-hydroxyethyl)amino]ethyl]-1,3-dimethyl-purine-4,5,8,9-tetraide-2,6-dione
Molecular Mass 385.460 g·mol−1
Heat of Formation -326.8 ± 16.7 kJ·mol−1
Dipole Moment 1.86 ± 1.08 D
Volume 474.96 Å 3
Surface Area 406.5 Å 2
HOMO Energy -8.82 ± 0.55 eV
LUMO Energy 2.62 ± eV
Point Group Symmetry C1
Synonyms
  • 7-[2-(ethyl-(2-hydroxyethyl)amino)ethyl]-1,3-dimethyl-8-(phenylmethyl)purine-2,6-dione
  • 7-{2-[ethyl(2-hydroxyethyl)amino]ethyl}-1,3-dimethyl-8-(phenylmethyl)-3,7-dihydro-1h-purine-2,6-dione
  • 8-(benzyl)-7-[2-(ethyl-(2-hydroxyethyl)amino)ethyl]-1,3-dimethyl-xanthine
  • 8-benzyl-7-2-(ethyl(2-hydroxyethyl)amino)ethyltheophylline
  • 8-benzyl-7-[2-[ethyl-(2-hydroxyethyl)amino]ethyl]theophylline
  • bamifyllin
  • bamifylline
InChIKey VVUYEFBRTFASAH-UHFFFAOYSA-N
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