9-(2-Chloro-6-Fluorobenzyl)-N,N-Dimethyl-9H-Purin-6-Amine

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Properties Simple | Detailed

Formula C14H13ClFN5
IUPAC Name 9-[(2-chloro-6-fluoro-phenyl)methyl]-n,n-dimethyl-purin-9-ium-6-amine
Molecular Mass 305.738 g·mol−1
Heat of Formation 142.4 ± 16.7 kJ·mol−1
Dipole Moment 2.90 ± 1.08 D
Volume 330.12 Å 3
Surface Area 294.7 Å 2
HOMO Energy -8.32 ± 0.55 eV
LUMO Energy -0.76 ± eV
Point Group Symmetry C1
Synonyms
  • 9-(2-chloro-6-fluorobenzyl)-6-dimethylaminopurine
  • 9-[(2-chloro-6-fluoro-phenyl)methyl]-n,n-dimethyl-purin-6-amine
  • 9-[(2-chloro-6-fluorophenyl)methyl]-n,n-dimethyl-6-purinamine
  • 9h-purin-6-amine, 9-((2-chloro-6-fluorophenyl)methyl)-n,n-dimethyl-
  • [9-(2-chloro-6-fluoro-benzyl)purin-6-yl]-dimethyl-amine
  • vm 6736
  • vm-6736
CAS Number(s)
  • 70091-23-5
InChIKey ZRTHYLLRNKJAEG-UHFFFAOYSA-N
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Elements H N F C Cl