7-(3-{[2-(3,4-Dihydroxyphenyl)Ethyl]Amino}Propyl)-1,3-Dimethyl-3,7-Dihydro-1H-Purine-2,6-Dione

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Formula C18H23N5O4
IUPAC Name 7-[3-[2-(3,4-dihydroxyphenyl)ethylamino]propyl]-1,3-dimethyl-8h-purine-4,5,8,9-tetraide-2,6-dione
Molecular Mass 373.406 g·mol−1
Heat of Formation -489.9 ± 16.7 kJ·mol−1
Dipole Moment 3.92 ± 1.08 D
Volume 440.56 Å 3
Surface Area 399.65 Å 2
HOMO Energy -8.91 ± 0.55 eV
LUMO Energy 2.52 ± eV
Point Group Symmetry C1
Synonyms
  • 1h-purine-2,6-dione, 7-(3-((2-(3,4-dihydroxyphenyl)ethyl)amino)propyl)-3,7-dihydro-1,3-dimethyl-
  • 7-[3-[2-(3,4-dihydroxyphenyl)ethylamino]propyl]-1,3-dimethyl-purine-2,6-dione
  • 7-[3-[2-(3,4-dihydroxyphenyl)ethylamino]propyl]-1,3-dimethyl-xanthine
  • 7-[3-[2-(3,4-dihydroxyphenyl)ethylamino]propyl]-1,3-dimethylpurine-2,6-dione
  • 7-propyltheophylline dopamine
  • d 4975
  • d-4975
CAS Number(s)
  • 71201-33-7
InChIKey PTKBXZQSYDMMLK-UHFFFAOYSA-N
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