(R)-4-(2-(Dimethylamino)-1-Hydroxyethyl)-1,2-Phenylene 2,2-Dimethylpropanoate

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Properties Simple | Detailed

Formula C20H31NO5
IUPAC Name [4-[(1r)-2-(dimethylamino)-1-hydroxy-ethyl]-2-(2,2-dimethylpropanoyloxy)phenyl] 2,2-dimethylpropanoate
Molecular Mass 365.464 g·mol−1
Heat of Formation -972.5 ± 16.7 kJ·mol−1
Dipole Moment 3.99 ± 1.08 D
Volume 480.11 Å 3
Surface Area 390.46 Å 2
HOMO Energy -8.73 ± 0.55 eV
LUMO Energy -0.05 ± eV
Point Group Symmetry C1
Synonyms
  • 2,2-dimethylpropanoic acid [5-[(1r)-2-dimethylamino-1-hydroxyethyl]-2-(2,2-dimethyl-1-oxopropoxy)phenyl] ester
  • 2,2-dimethylpropionic acid [5-[(1r)-2-dimethylamino-1-hydroxy-ethyl]-2-pivaloyloxy-phenyl] ester
  • [5-[(1r)-2-dimethylamino-1-hydroxy-ethyl]-2-(2,2-dimethylpropanoyloxy)phenyl] 2,2-dimethylpropanoate
  • [5-[(1r)-2-dimethylamino-1-hydroxyethyl]-2-(2,2-dimethylpropanoyloxy)phenyl] 2,2-dimethylpropanoate
  • alpha-methylepinephrine dipivalate
  • dipivalyl alpha-methylepinephrine
  • propanoic acid, 2,2-dimethyl-, 4-(2-(dimethylamino)-1-hydroxyethyl)-1,2-phenylene ester, (r)-
CAS Number(s)
  • 81497-25-8
InChIKey WBLFCECYKMDLCW-AWEZNQCLSA-N
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