4-(2-Aminoethyl)-1,2-Phenylene Dibenzoate

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Properties Simple | Detailed

Formula C22H19NO4
IUPAC Name [4-(2-aminoethyl)-2-benzoyloxy-phenyl] benzoate
Molecular Mass 361.391 g·mol−1
Heat of Formation -363.4 ± 16.7 kJ·mol−1
Dipole Moment 4.62 ± 1.08 D
Volume 433.31 Å 3
Surface Area 354.63 Å 2
HOMO Energy -9.24 ± 0.55 eV
LUMO Energy -0.66 ± eV
Point Group Symmetry C1
Synonyms
  • 1,2-benzenediol, 4-(2-aminoethyl)-, dibenzoate (ester)
  • 3,4-dibenzoyl dopamine
  • [5-(2-aminoethyl)-2-(benzoyloxy)phenyl] benzoate
  • [5-(2-aminoethyl)-2-phenylcarbonyloxy-phenyl] benzoate
  • benzoic acid [5-(2-aminoethyl)-2-(benzoyloxy)phenyl] ester
  • benzoic acid [5-(2-aminoethyl)-2-(oxo-phenylmethoxy)phenyl] ester
  • dopamine 3,4-benzoyl ester
CAS Number(s)
  • 48216-85-9
InChIKey SOLDHABFOYNUBA-UHFFFAOYSA-N
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