2,6-Dimethyl-4-(1-Phenyl-1H-Pyrazol-3-Yl)Aminophenyl Acetate

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Properties Simple | Detailed

Formula C19H19N3O2
IUPAC Name [2,6-dimethyl-4-[(1-phenylpyrazol-1-ium-2-id-3-yl)amino]phenyl] acetate
Molecular Mass 321.373 g·mol−1
Heat of Formation 10.6 ± 16.7 kJ·mol−1
Dipole Moment 1.05 ± 1.08 D
Volume 392.4 Å 3
Surface Area 352.3 Å 2
HOMO Energy -7.94 ± 0.55 eV
LUMO Energy -0.53 ± eV
Point Group Symmetry C1
Synonyms
  • 2,6-dimethyl-4-((1-phenyl-1h-pyrazol-3-yl)amino)phenol acetate
  • [2,6-dimethyl-4-[(1-phenylpyrazol-3-yl)amino]phenyl] acetate
  • [2,6-dimethyl-4-[(1-phenylpyrazol-3-yl)amino]phenyl] ethanoate
  • acetic acid [2,6-dimethyl-4-[(1-phenyl-3-pyrazolyl)amino]phenyl] ester
  • acetic acid [2,6-dimethyl-4-[(1-phenylpyrazol-3-yl)amino]phenyl] ester
  • fpl 64170xx
  • fpl-64170xx
  • phenol, 2,6-dimethyl-4-((1-phenyl-1h-pyrazol-3-yl)amino)-, acetate (ester)
CAS Number(s)
  • 172670-07-4
InChIKey XCQWBTDXTTYPDL-UHFFFAOYSA-N
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