3-Cyclopentyl-4-{(2S)-2-Hydroxy-3-[(2-Methyl-2-Propanyl)Amino]Propoxy}Phenol

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Properties Simple | Detailed

Formula C18H29NO3
IUPAC Name 4-[(2s)-3-(tert-butylamino)-2-hydroxy-propoxy]-3-cyclopentyl-phenol
Molecular Mass 307.428 g·mol−1
Heat of Formation -586.6 ± 16.7 kJ·mol−1
Dipole Moment 1.72 ± 1.08 D
Volume 409.67 Å 3
Surface Area 353.09 Å 2
HOMO Energy -8.68 ± 0.55 eV
LUMO Energy 0.12 ± eV
Point Group Symmetry C1
Synonyms
  • 4-[(2s)-3-(tert-butylamino)-2-hydroxy-propoxy]-3-cyclopentyl-phenol
  • 4-[(2s)-3-(tert-butylamino)-2-hydroxypropoxy]-3-cyclopentylphenol
  • 4-hydroxypenbutolol
  • phenol, 3-cyclopentyl-4-(3-((1,1-dimethylethyl)amino)-2-hydroxypropoxy)-, (s)-
CAS Number(s)
  • 81542-82-7
InChIKey PYXBIIXXYVBVLU-HNNXBMFYSA-N
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