7-(2-Aminoethyl)-8-Benzyl-1,3-Dimethyl-3,7-Dihydro-1H-Purine-2,6-Dione

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Properties Simple | Detailed

Formula C16H19N5O2
IUPAC Name 7-(2-aminoethyl)-8-benzyl-1,3-dimethyl-purine-4,5,8,9-tetraide-2,6-dione
Molecular Mass 313.354 g·mol−1
Heat of Formation -122.0 ± 16.7 kJ·mol−1
Dipole Moment 3.89 ± 1.08 D
Volume 370.42 Å 3
Surface Area 324.39 Å 2
HOMO Energy -8.87 ± 0.55 eV
LUMO Energy -0.78 ± eV
Point Group Symmetry C1
Synonyms
  • 1h-purine-2,6-dione, 7-(2-aminoethyl)-3,7-dihydro-1,3-dimethyl-8-(phenylmethyl)-
  • 7-(2-aminoethyl)-1,3-dimethyl-8-(phenylmethyl)purine-2,6-dione
  • 7-(2-aminoethyl)-8-(benzyl)-1,3-dimethyl-xanthine
  • ac 155
  • ac-155
CAS Number(s)
  • 80296-68-0
InChIKey RBFZLGAFXRJECP-UHFFFAOYSA-N
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