4-[(2R)-2-{[(2R)-2-Hydroxy-2-Phenylethyl]Amino}Propyl]Benzoic Acid

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Properties Simple | Detailed

Formula C18H21NO3
IUPAC Name 4-[(2r)-2-[[(2r)-2-hydroxy-2-phenyl-ethyl]amino]propyl]benzoic acid
Molecular Mass 299.364 g·mol−1
Heat of Formation -429.0 ± 16.7 kJ·mol−1
Dipole Moment 2.56 ± 1.08 D
Volume 382.03 Å 3
Surface Area 337.51 Å 2
HOMO Energy -9.31 ± 0.55 eV
LUMO Energy -0.68 ± eV
Point Group Symmetry C1
Synonyms
  • 4-[(2r)-2-[[(2r)-2-hydroxy-2-phenyl-ethyl]amino]propyl]benzoic acid
  • 4-[(2r)-2-[[(2r)-2-hydroxy-2-phenylethyl]amino]propyl]benzoic acid
  • benzoic acid, 4-(2-((2-hydroxy-2-phenylethyl)amino)propyl)-, (r*,r*)-(+-)-
  • brl 28410
  • brl-28410
CAS Number(s)
  • 90730-94-2
InChIKey LUPJXXHWXBKHOO-DYVFJYSZSA-N
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