8-(2-Amino-4-Chlorophenyl)-1,3-Dipropyl-3,7-Dihydro-1H-Purine-2,6-Dione

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Formula C17H20ClN5O2
IUPAC Name 8-(2-amino-4-chloro-phenyl)-1,3-dipropyl-7h-purine-4,5,8,9-tetraide-2,6-dione
Molecular Mass 361.826 g·mol−1
Heat of Formation -254.7 ± 16.7 kJ·mol−1
Dipole Moment 2.59 ± 1.08 D
Volume 416.55 Å 3
Surface Area 365.2 Å 2
HOMO Energy -8.75 ± 0.55 eV
LUMO Energy 1.95 ± eV
Point Group Symmetry C1
Synonyms
  • 1,3-dipropyl-8-(2-amino-4-chlorophenyl)xanthine
  • 1h-purine-2,6-dione, 8-(2-amino-4-chlorophenyl)-3,7-dihydro-1,3-dipropyl
  • 8-(2-amino-4-chloro-phenyl)-1,3-dipropyl-7h-purine-2,6-dione
  • 8-(2-amino-4-chloro-phenyl)-1,3-dipropyl-7h-purine-2,6-quinone
  • 8-(2-amino-4-chlorophenyl)-1,3-dipropyl-7h-purine-2,6-dione
  • pacpx
  • papcx
  • pdsp1_000993
  • pdsp1_001136
  • pdsp2_000977
  • pdsp2_001120
CAS Number(s)
  • 85872-51-1
InChIKey SENJBFBVCXOUFE-UHFFFAOYSA-N
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