N-{4-[(6-Amino-9H-Purin-9-Yl)Methyl]Phenyl}-2-Bromoacetamide

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Properties Simple | Detailed

Formula C14H13BrN6O
IUPAC Name n-[4-[(6-aminopurin-9-ium-9-yl)methyl]phenyl]-2-bromo-acetamide
Molecular Mass 361.197 g·mol−1
Heat of Formation 195.1 ± 16.7 kJ·mol−1
Dipole Moment 5.09 ± 1.08 D
Volume 356.76 Å 3
Surface Area 325.37 Å 2
HOMO Energy -8.88 ± 0.55 eV
LUMO Energy -0.54 ± eV
Point Group Symmetry C1
Synonyms
  • 9-(4-bromoacetamidobenzyl)adenine
  • n-(4-((6-amino-9h-purin-9-yl)methyl)phenyl)-2-bromoacetamide
  • n-[4-[(6-amino-9-purinyl)methyl]phenyl]-2-bromoacetamide
  • n-[4-[(6-aminopurin-9-yl)methyl]phenyl]-2-bromo-acetamide
  • n-[4-[(6-aminopurin-9-yl)methyl]phenyl]-2-bromo-ethanamide
  • n-[4-[(6-aminopurin-9-yl)methyl]phenyl]-2-bromoacetamide
CAS Number(s)
  • 4230-23-3
InChIKey MLENUZNNXIORHN-UHFFFAOYSA-N
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Elements H C O Br N