N-(3-{[8-Bromo-6-(Dimethylamino)-9H-Purin-9-Yl]Methyl}Phenyl)Formamide

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Properties Simple | Detailed

Formula C15H15BrN6O
IUPAC Name n-[3-[[8-bromo-6-(dimethylamino)purin-9-ium-9-yl]methyl]phenyl]formamide
Molecular Mass 375.223 g·mol−1
Heat of Formation 239.3 ± 16.7 kJ·mol−1
Dipole Moment 4.51 ± 1.08 D
Volume 373.12 Å 3
Surface Area 327.54 Å 2
HOMO Energy -8.30 ± 0.55 eV
LUMO Energy 2.73 ± eV
Point Group Symmetry C1
Synonyms
  • 8-bromo-6-(dimethylamino)-9-(3-formamidobenzyl)-9h-purine
  • bdafbp
  • n-[3-[(8-bromo-6-dimethylamino-9-purinyl)methyl]phenyl]formamide
  • n-[3-[(8-bromo-6-dimethylamino-purin-9-yl)methyl]phenyl]formamide
  • n-[3-[(8-bromo-6-dimethylamino-purin-9-yl)methyl]phenyl]methanamide
  • n-[3-[(8-bromo-6-dimethylaminopurin-9-yl)methyl]phenyl]formamide
CAS Number(s)
  • 123811-36-9
InChIKey UBWFXCGBEINYPB-UHFFFAOYSA-N
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Elements H C O Br N