4-[(1S)-2-(Tert-Butylamino)-1-Hydroxyethyl]-2-(Hydroxymethyl)Phenol

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Properties Simple | Detailed

Formula C13H21NO3
IUPAC Name 4-[(1s)-2-(tert-butylamino)-1-hydroxy-ethyl]-2-(hydroxymethyl)phenol
Molecular Mass 239.311 g·mol−1
Heat of Formation -583.4 ± 16.7 kJ·mol−1
Dipole Moment 4.61 ± 1.08 D
Volume 309.79 Å 3
Surface Area 279.04 Å 2
HOMO Energy -8.76 ± 0.55 eV
LUMO Energy 0.18 ± eV
Point Group Symmetry C1
Synonyms
  • 4-[(1s)-2-(tert-butylamino)-1-hydroxy-ethyl]-2-(hydroxymethyl)phenol
  • 4-[(1s)-2-(tert-butylamino)-1-hydroxy-ethyl]-2-methylol-phenol
CAS Number(s)
  • 34271-50-6
InChIKey NDAUXUAQIAJITI-GFCCVEGCSA-N
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