2-Hydroxy-4-[2-(Methylamino)Ethyl]Phenyl Hydrogen Sulfate

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Formula C9H13NO5S
IUPAC Name [2-hydroxy-4-[2-(methylamino)ethyl]phenyl] hydrogen sulfate
Molecular Mass 247.268 g·mol−1
Heat of Formation -798.8 ± 16.7 kJ·mol−1
Dipole Moment 3.76 ± 1.08 D
Volume 269.25 Å 3
Surface Area 258.75 Å 2
HOMO Energy -9.23 ± 0.55 eV
LUMO Energy -1.06 ± eV
Point Group Symmetry C1
Synonyms
  • 1,2-benzenediol, 4-(2-(methylamino)ethyl)-, 1-(hydrogen sulfate)
  • [2-hydroxy-4-(2-methylaminoethyl)phenyl] hydrogen sulfate
  • epinine 4-o-sulfate
  • n-methyldopamine 4-o-sulfate
CAS Number(s)
  • 101910-86-5
InChIKey MFXXSSJHUUFWLX-UHFFFAOYSA-N
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