4-(2-Aminoethyl)-2-Hydroxyphenyl Hydrogen Sulfate

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Properties Simple | Detailed

Formula C8H11NO5S
IUPAC Name [4-(2-aminoethyl)-2-hydroxy-phenyl] hydrogen sulfate
Molecular Mass 233.242 g·mol−1
Heat of Formation -801.9 ± 16.7 kJ·mol−1
Dipole Moment 3.87 ± 1.08 D
Volume 247.93 Å 3
Surface Area 237.95 Å 2
HOMO Energy -9.25 ± 0.55 eV
LUMO Energy -0.80 ± eV
Point Group Symmetry C1
Synonyms
  • 4-(2-aminoethyl)-1,2-benzenediol, 1-(hydrogen sulfate)
  • [4-(2-aminoethyl)-2-hydroxyphenyl] hydrogen sulfate
  • dopamine 4-o-sulfate
CAS Number(s)
  • 38339-02-5
InChIKey DEKNNWJXAQTLFA-UHFFFAOYSA-N
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