(1R,2S)-1-(3,4-Dichlorophenyl)-2-[(2-Methyl-2-Propanyl)Amino]-1-Propanol

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Properties Simple | Detailed

Formula C13H19Cl2NO
IUPAC Name (1r,2s)-2-(tert-butylamino)-1-(3,4-dichlorophenyl)propan-1-ol
Molecular Mass 276.202 g·mol−1
Heat of Formation -284.0 ± 16.7 kJ·mol−1
Dipole Moment 3.35 ± 1.08 D
Volume 332.22 Å 3
Surface Area 277.54 Å 2
HOMO Energy -9.03 ± 0.55 eV
LUMO Energy -0.63 ± eV
Point Group Symmetry C1
Synonyms
  • (1r,2s)-2-(tert-butylamino)-1-(3,4-dichlorophenyl)propan-1-ol
  • benzenemethanol, 3,4-dichloro-alpha-(1-((1,1-dimethylethyl)amino)ethyl)-, (r*,s*)-(+-)-
  • bw 65-54
  • bw-65-54
  • dl-erythro-alpha-(3,4-dichlorophenyl)-beta-(t-butylamino)propanol
CAS Number(s)
  • 75847-67-5
InChIKey SLCPABTZXAOSIU-UFBFGSQYSA-N
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Elements H C N O Cl