2-[(4-Amino-2-Nitrophenyl)Amino]Ethanesulfonic Acid

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Properties Simple | Detailed

Formula C8H11N3O5S
IUPAC Name 2-(4-amino-2-nitro-anilino)ethanesulfonic acid
Molecular Mass 261.255 g·mol−1
Heat of Formation -478.2 ± 16.7 kJ·mol−1
Dipole Moment 3.23 ± 1.08 D
Volume 269.06 Å 3
Surface Area 258.09 Å 2
HOMO Energy -8.31 ± 0.55 eV
LUMO Energy -1.17 ± eV
Point Group Symmetry C1
Synonyms
  • 2-((4-amino-2-nitrophenyl)amino)ethanesulfonic acid
  • 2-[(4-amino-2-nitro-phenyl)amino]ethanesulfonic acid
  • ethanesulfonic acid, 2-((4-amino-2-nitrophenyl)amino)-
  • n-(4-isothiocyano-2-nitrophenyl)-2-aminoethanesulfonate
  • nip-taurine
CAS Number(s)
  • 112727-00-1
InChIKey IYJZSNHGFVTSEJ-UHFFFAOYSA-N
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