2-Chloro-9-(4-Methylbenzyl)-N-Phenyl-9H-Purin-6-Amine

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Properties Simple | Detailed

Formula C19H16ClN5
IUPAC Name 2-chloro-n-phenyl-9-(p-tolylmethyl)purin-9-ium-6-amine
Molecular Mass 349.817 g·mol−1
Heat of Formation 439.6 ± 16.7 kJ·mol−1
Dipole Moment 4.00 ± 1.08 D
Volume 402.32 Å 3
Surface Area 362.36 Å 2
HOMO Energy -8.62 ± 0.55 eV
LUMO Energy -0.84 ± eV
Point Group Symmetry C1
Synonyms
  • 2-chloro-9-[(4-methylphenyl)methyl]-n-phenyl-6-purinamine
  • 2-chloro-9-[(4-methylphenyl)methyl]-n-phenyl-purin-6-amine
  • 2-chloro-9-[(4-methylphenyl)methyl]-n-phenylpurin-6-amine
  • 9h-purin-6-amine, 2-chloro-9-[(4-methylphenyl)methyl]-n-phenyl-
  • [2-chloro-9-(4-methylbenzyl)purin-6-yl]-phenyl-amine
CAS Number(s)
  • 125802-42-8
InChIKey OYEKUVZUFASBGC-UHFFFAOYSA-N
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Elements H C N Cl