9H-Purine, 6-(Dimethylamino)-9-(4-Methylbenzyl)-2-(Trifluoromethyl)-

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Properties Simple | Detailed

Formula C16H16F3N5
IUPAC Name n,n-dimethyl-9-(p-tolylmethyl)-2-(trifluoromethyl)purin-6-amine
Molecular Mass 335.327 g·mol−1
Heat of Formation -305.3 ± 16.7 kJ·mol−1
Dipole Moment 5.35 ± 1.08 D
Volume 374.07 Å 3
Surface Area 334.5 Å 2
HOMO Energy -8.64 ± 0.55 eV
LUMO Energy 2.32 ± eV
Point Group Symmetry C1
Synonyms
  • 6-(dimethylamino)-9-(4-methylbenzyl)-2-(trifluoromethyl)-9h-purine
  • 6-dmpt
  • dimethyl-[9-(4-methylbenzyl)-2-(trifluoromethyl)purin-6-yl]amine
  • n,n-dimethyl-9-[(4-methylphenyl)methyl]-2-(trifluoromethyl)purin-6-amine
CAS Number(s)
  • 117860-34-1
InChIKey CGYQALAEDMYLCQ-UHFFFAOYSA-N
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Elements H C N F