2-{[(2E)-3-(4-Pentylphenyl)-2-Propenoyl]Amino}Benzoic Acid

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Properties Simple | Detailed

Formula C21H23NO3
IUPAC Name 2-[[(e)-3-(4-pentylphenyl)prop-2-enoyl]amino]benzoic acid
Molecular Mass 337.412 g·mol−1
Heat of Formation -431.9 ± 16.7 kJ·mol−1
Dipole Moment 2.45 ± 1.08 D
Volume 422.27 Å 3
Surface Area 394.18 Å 2
HOMO Energy -9.02 ± 0.55 eV
LUMO Energy -0.92 ± eV
Point Group Symmetry C1
Synonyms
  • 2-((1-oxo-3-(4-pentylphenyl)-2-propenyl)amino)benzoic acid
  • 2-[3-(4-pentylphenyl)prop-2-enoylamino]benzoic acid
  • 2-[[(e)-1-oxo-3-(4-pentylphenyl)prop-2-enyl]amino]benzoic acid
  • 2-[[(e)-3-(4-amylphenyl)acryloyl]amino]benzoic acid
  • 2-[[(e)-3-(4-pentylphenyl)prop-2-enoyl]amino]benzoic acid
  • 2-[[1-oxo-3-(4-pentylphenyl)prop-2-enyl]amino]benzoic acid
  • 2-[[3-(4-amylphenyl)acryloyl]amino]benzoic acid
  • 4-acaa
  • 4-amylcinnamoylanthranilic acid
  • benzoic acid, 2-((1-oxo-3-(4-pentylphenyl)-2-propenyl)amino)-
  • hsci1_000235
  • n-(<i>p</i>-amylcinnamoyl)anthranilic acid
  • n-(p-amylcinnamoyl)anthranilic acid
  • p-amylcinnamoylanthranilic acid
CAS Number(s)
  • 110683-10-8
InChIKey GAMRBCZMOOMBSQ-CCEZHUSRSA-N
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