8-Benzyl-7-[2-(Ethylamino)Ethyl]-1,3-Dimethyl-3,7-Dihydro-1H-Purine-2,6-Dione

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Properties Simple | Detailed

Formula C18H23N5O2
IUPAC Name 8-benzyl-7-[2-(ethylamino)ethyl]-1,3-dimethyl-purine-2,6-dione
Molecular Mass 341.408 g·mol−1
Heat of Formation -164.5 ± 16.7 kJ·mol−1
Dipole Moment 3.82 ± 1.08 D
Volume 416.89 Å 3
Surface Area 349.34 Å 2
HOMO Energy -8.76 ± 0.55 eV
LUMO Energy -0.62 ± eV
Point Group Symmetry C1
Synonyms
  • 1h-purine-2,6-dione, 7-(2-(ethylamino)ethyl)-3,7-dihydro-1,3-dimethyl-8-(phenylmethyl)-
  • 7-(2-ethylaminoethyl)-1,3-dimethyl-8-(phenylmethyl)purine-2,6-dione
  • 8-(benzyl)-7-(2-ethylaminoethyl)-1,3-dimethyl-xanthine
  • ac 119
  • ac-119
CAS Number(s)
  • 80296-67-9
InChIKey DWVLBZMSEOBQDH-UHFFFAOYSA-N
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