2-Hydroxy-5-[2-(Methylamino)Ethyl]Phenyl Hydrogen Sulfate

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Properties Simple | Detailed

Formula C9H13NO5S
IUPAC Name [2-hydroxy-5-[2-(methylamino)ethyl]phenyl] hydrogen sulfate
Molecular Mass 247.268 g·mol−1
Heat of Formation -778.9 ± 16.7 kJ·mol−1
Dipole Moment 1.51 ± 1.08 D
Volume 272.21 Å 3
Surface Area 259.37 Å 2
HOMO Energy -9.15 ± 0.55 eV
LUMO Energy -0.57 ± eV
Point Group Symmetry C1
Synonyms
  • [2-hydroxy-5-(2-methylaminoethyl)phenyl] hydrogen sulfate
  • epinine 3-o-sulfate
  • n-methyldopamine 3-o-sulfate
CAS Number(s)
  • 101910-85-4
InChIKey PSPNNLYOAMJETR-UHFFFAOYSA-N
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