2-Hydroxy-5-[(1R)-1-Hydroxy-2-(Methylamino)Ethyl]Phenyl Pivalate

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Properties Simple | Detailed

Formula C14H21NO4
IUPAC Name [2-hydroxy-5-[(1r)-1-hydroxy-2-(methylamino)ethyl]phenyl] 2,2-dimethylpropanoate
Molecular Mass 267.321 g·mol−1
Heat of Formation -708.8 ± 16.7 kJ·mol−1
Dipole Moment 2.18 ± 1.08 D
Volume 339.71 Å 3
Surface Area 304.49 Å 2
HOMO Energy -8.89 ± 0.55 eV
LUMO Energy 0.06 ± eV
Point Group Symmetry C1
Synonyms
  • 2,2-dimethylpropanoic acid [2-hydroxy-5-[(1r)-1-hydroxy-2-methylaminoethyl]phenyl] ester
  • 2,2-dimethylpropionic acid [2-hydroxy-5-[(1r)-1-hydroxy-2-methylamino-ethyl]phenyl] ester
  • 3-monopivaloylepinephrine
  • 3-pivaloylepinephrine
  • [2-hydroxy-5-[(1r)-1-hydroxy-2-methylamino-ethyl]phenyl] 2,2-dimethylpropanoate
  • [2-hydroxy-5-[(1r)-1-hydroxy-2-methylaminoethyl]phenyl] 2,2-dimethylpropanoate
  • propanoic acid, 2,2-dimethyl-, 2-hydroxy-5-(1-hydroxy-2-(methylamino)ethyl)phenyl ester, (r)-
CAS Number(s)
  • 144750-97-0
InChIKey WIUNNKAQOJJYKO-NSHDSACASA-N
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