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

Molecule SVG Image

Properties Simple | Detailed

Formula C18H19Cl2N5O3
IUPAC Name 1-[(3,4-dichlorophenyl)methyl]-3,7-dimethyl-8-morpholino-purine-2,6-dione
Molecular Mass 424.281 g·mol−1
Heat of Formation -304.7 ± 16.7 kJ·mol−1
Dipole Moment 4.86 ± 1.08 D
Volume 456.68 Å 3
Surface Area 393.16 Å 2
HOMO Energy -8.97 ± 0.55 eV
LUMO Energy 2.45 ± 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
QR Code Generate QR Code
Links PubChem ChemSpider
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C N O Cl