2-Hydroxy-5-[(1S)-1-Hydroxy-2-{[(2S)-4-Phenyl-2-Butanyl]Amino}Ethyl]Benzamide

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Properties Simple | Detailed

Formula C19H24N2O3
IUPAC Name 2-hydroxy-5-[(1s)-1-hydroxy-2-[[(1s)-1-methyl-3-phenyl-propyl]amino]ethyl]benzamide
Molecular Mass 328.405 g·mol−1
Heat of Formation -453.3 ± 16.7 kJ·mol−1
Dipole Moment 6.90 ± 1.08 D
Volume 411.63 Å 3
Surface Area 320.06 Å 2
HOMO Energy -9.07 ± 0.55 eV
LUMO Energy -0.12 ± eV
Point Group Symmetry C1
Synonyms
  • 2-hydroxy-5-((1s)-1-hydroxy-2-(((1s)-1-methyl-3-phenylpropyl)amino)ethyl)benzamide
  • 2-hydroxy-5-[(1s)-1-hydroxy-2-[[(1s)-1-methyl-3-phenyl-propyl]amino]ethyl]benzamide
  • 2-hydroxy-5-[(1s)-1-hydroxy-2-[[(1s)-1-methyl-3-phenylpropyl]amino]ethyl]benzamide
  • 2-hydroxy-5-[(1s)-1-hydroxy-2-[[(2s)-4-phenylbutan-2-yl]amino]ethyl]benzamide
  • benzamide, 2-hydroxy-5-((1s)-1-hydroxy-2-(((1s)-1-methyl-3-phenylpropyl)amino)ethyl)-
  • s,s-labetalol
CAS Number(s)
  • 83167-24-2
InChIKey SGUAFYQXFOLMHL-SCLBCKFNSA-N
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