1-(3,4-Dichlorobenzyl)-3,7-Dimethyl-8-(4-Morpholinyl)-3,7-Dihydro-1H-Purine-2,6-Dione

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Properties Simple | Detailed

Formula C18H23Cl2N5O3
IUPAC Name 1-[(3,4-dichlorophenyl)methyl]-3,7-dimethyl-8-morpholino-purine-4,5,8,9-tetraide-2,6-dione
Molecular Mass 428.313 g·mol−1
Heat of Formation -303.9 ± 16.7 kJ·mol−1
Dipole Moment 6.09 ± 1.08 D
Volume 454.64 Å 3
Surface Area 393.48 Å 2
HOMO Energy -9.00 ± 0.55 eV
LUMO Energy 2.44 ± eV
Point Group Symmetry C1
Synonyms
  • 1-(3,4-dichlorobenzyl)-3,7-dimethyl-8-morpholino-xanthine
  • 1-[(3,4-dichlorophenyl)methyl]-3,7-dimethyl-8-morpholin-4-yl-purine-2,6-dione
  • 1-[(3,4-dichlorophenyl)methyl]-3,7-dimethyl-8-morpholino-purine-2,6-dione
  • 1-[(3,4-dichlorophenyl)methyl]-3,7-dimethyl-8-morpholinopurine-2,6-dione
  • oprea1_385962
  • stock1s-16791
InChIKey BFRVAZYYGGLHQS-UHFFFAOYSA-N
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