5-(2-Aminoethyl)-2-Hydroxyphenyl Benzoate

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Properties Simple | Detailed

Formula C15H15NO3
IUPAC Name [5-(2-aminoethyl)-2-hydroxy-phenyl] benzoate
Molecular Mass 257.284 g·mol−1
Heat of Formation -311.6 ± 16.7 kJ·mol−1
Dipole Moment 1.97 ± 1.08 D
Volume 311.62 Å 3
Surface Area 290.84 Å 2
HOMO Energy -8.99 ± 0.55 eV
LUMO Energy -0.55 ± eV
Point Group Symmetry C1
Synonyms
  • 3-benzoyl dopamine
  • [5-(2-aminoethyl)-2-hydroxyphenyl] benzoate
  • benzoic acid [5-(2-aminoethyl)-2-hydroxy-phenyl] ester
  • benzoic acid [5-(2-aminoethyl)-2-hydroxyphenyl] ester
  • dopamine 3-benzoyl ester
  • mbda
CAS Number(s)
  • 119304-28-8
InChIKey WQJBDEHULKUMKX-UHFFFAOYSA-N
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