3-[{(4E)-4-[(5-Nitro-2-Pyridinyl)Hydrazono]-3-Oxo-1,5-Cyclohexadien-1-Yl}(Propyl)Amino]-1-Propanesulfonic Acid

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Properties Simple | Detailed

Formula C17H21N5O6S
IUPAC Name 3-[[(4e)-4-[(5-nitro-2-pyridyl)hydrazono]-3-oxo-cyclohexa-1,5-dien-1-yl]-propyl-amino]propane-1-sulfonic acid
Molecular Mass 423.444 g·mol−1
Heat of Formation -360.9 ± 16.7 kJ·mol−1
Dipole Moment 10.99 ± 1.08 D
Volume 472.21 Å 3
Surface Area 422.96 Å 2
HOMO Energy -9.10 ± 0.55 eV
LUMO Energy -2.26 ± eV
Point Group Symmetry C1
Synonyms
  • 3-[[(4e)-3-keto-4-[(5-nitro-2-pyridyl)hydrazono]-1-cyclohexa-1,5-dienyl]-propyl-amino]propane-1-sulfonic acid
  • 3-[[(4e)-4-[(5-nitro-2-pyridyl)hydrazono]-3-oxo-1-cyclohexa-1,5-dienyl]-propyl-amino]propane-1-sulfonic acid
  • 3-[[(4e)-4-[(5-nitro-2-pyridyl)hydrazono]-3-oxo-1-cyclohexa-1,5-dienyl]-propylamino]propane-1-sulfonic acid
  • 3-[[(4e)-4-[(5-nitropyridin-2-yl)hydrazinylidene]-3-oxo-1-cyclohexa-1,5-dienyl]-propyl-amino]propane-1-sulfonic acid
  • 3-[[(4e)-4-[(5-nitropyridin-2-yl)hydrazinylidene]-3-oxo-1-cyclohexa-1,5-dienyl]-propylamino]propane-1-sulfonic acid
  • 3-[[3-keto-4-[(5-nitro-2-pyridyl)hydrazono]-1-cyclohexa-1,5-dienyl]-propyl-amino]propane-1-sulfonic acid
  • 3-[[4-[(5-nitro-2-pyridyl)hydrazono]-3-oxo-1-cyclohexa-1,5-dienyl]-propyl-amino]propane-1-sulfonic acid
  • 3-[[4-[(5-nitro-2-pyridyl)hydrazono]-3-oxo-1-cyclohexa-1,5-dienyl]-propylamino]propane-1-sulfonic acid
  • 3-[[4-[(5-nitropyridin-2-yl)hydrazinylidene]-3-oxo-1-cyclohexa-1,5-dienyl]-propyl-amino]propane-1-sulfonic acid
  • 3-[[4-[(5-nitropyridin-2-yl)hydrazinylidene]-3-oxo-1-cyclohexa-1,5-dienyl]-propylamino]propane-1-sulfonic acid
InChIKey HKJSGHIZAWWIAC-XDJHFCHBSA-N
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