N-Butyl-4,6-Dimethyl-N-{[2'-(1H-Tetrazol-5-Yl)-4-Biphenylyl]Methyl}-2-Pyrimidinamine

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Properties Simple | Detailed

Formula C24H27N7
IUPAC Name n-butyl-4,6-dimethyl-n-[[4-[2-(2h-tetrazol-5-yl)phenyl]phenyl]methyl]pyrimidin-2-amine
Molecular Mass 413.518 g·mol−1
Heat of Formation 525.1 ± 16.7 kJ·mol−1
Dipole Moment 2.11 ± 1.08 D
Volume 519.62 Å 3
Surface Area 447.04 Å 2
HOMO Energy -8.48 ± 0.55 eV
LUMO Energy 1.64 ± eV
Point Group Symmetry C1
Synonyms
  • butyl-(4,6-dimethylpyrimidin-2-yl)-[4-[2-(2h-tetrazol-5-yl)phenyl]benzyl]amine
  • n-butyl-4,6-dimethyl-n-[[4-[2-(2h-1,2,3,4-tetrazol-5-yl)phenyl]phenyl]methyl]pyrimidin-2-amine
  • n-butyl-4,6-dimethyl-n-[[4-[2-(2h-tetrazol-5-yl)phenyl]phenyl]methyl]-2-pyrimidinamine
InChIKey ZSQBWJVNWXAGKO-UHFFFAOYSA-N
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