4-{(1E)-3-Oxo-3-[(2-Phenylethyl)Amino]-1-Propen-1-Yl}-1,2-Phenylene Diacetate

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Properties Simple | Detailed

Formula C21H21NO5
IUPAC Name [2-acetoxy-4-[(e)-3-oxo-3-(2-phenylethylamino)prop-1-enyl]phenyl] acetate
Molecular Mass 367.395 g·mol−1
Heat of Formation -670.2 ± 16.7 kJ·mol−1
Dipole Moment 5.37 ± 1.08 D
Volume 443.51 Å 3
Surface Area 409.92 Å 2
HOMO Energy -9.35 ± 0.55 eV
LUMO Energy -0.91 ± eV
Point Group Symmetry C1
Synonyms
  • [2-acetoxy-4-[(e)-3-oxo-3-(2-phenylethylamino)prop-1-enyl]phenyl] acetate
  • [2-acetyloxy-4-[(e)-3-oxo-3-(2-phenylethylamino)prop-1-enyl]phenyl] acetate
  • [2-acetyloxy-4-[(e)-3-oxo-3-(2-phenylethylamino)prop-1-enyl]phenyl] ethanoate
  • acetic acid [2-acetoxy-4-[(e)-3-keto-3-(2-phenylethylamino)prop-1-enyl]phenyl] ester
  • acetic acid [2-acetoxy-4-[(e)-3-oxo-3-(2-phenylethylamino)prop-1-enyl]phenyl] ester
  • y12
InChIKey GARHCDOTUULBOQ-PKNBQFBNSA-N
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