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

Molecule SVG Image

Properties Simple | Detailed

Formula C17H21BrN4O4S
IUPAC Name 3-[[(4e)-4-[(5-bromo-2-pyridyl)hydrazono]-3-oxo-cyclohexa-1,5-dien-1-yl]-propyl-amino]propane-1-sulfonic acid
Molecular Mass 457.342 g·mol−1
Heat of Formation -322.2 ± 16.7 kJ·mol−1
Dipole Moment 7.09 ± 1.08 D
Volume 471.9 Å 3
Surface Area 419.88 Å 2
HOMO Energy -8.83 ± 0.55 eV
LUMO Energy -1.84 ± eV
Point Group Symmetry C1
Synonyms
  • 1-propanesulfonic acid, 3-((4-((5-bromo-2-pyridinyl)azo)-3-hydroxyphenyl)propylamino)-
  • 2-(5-bromo-2-pyridylazo)-5-(n-n-propyl-n-3-sulfopropylamino)phenol
  • 3-[[(4e)-4-[(5-bromo-2-pyridyl)hydrazono]-3-keto-1-cyclohexa-1,5-dienyl]-propyl-amino]propane-1-sulfonic acid
  • 3-[[(4e)-4-[(5-bromo-2-pyridyl)hydrazono]-3-oxo-1-cyclohexa-1,5-dienyl]-propyl-amino]propane-1-sulfonic acid
  • 3-[[(4e)-4-[(5-bromo-2-pyridyl)hydrazono]-3-oxo-1-cyclohexa-1,5-dienyl]-propylamino]propane-1-sulfonic acid
  • 3-[[(4e)-4-[(5-bromopyridin-2-yl)hydrazinylidene]-3-oxo-1-cyclohexa-1,5-dienyl]-propyl-amino]propane-1-sulfonic acid
  • 3-[[4-[(5-bromo-2-pyridyl)hydrazono]-3-keto-1-cyclohexa-1,5-dienyl]-propyl-amino]propane-1-sulfonic acid
  • 3-[[4-[(5-bromo-2-pyridyl)hydrazono]-3-oxo-1-cyclohexa-1,5-dienyl]-propyl-amino]propane-1-sulfonic acid
  • 3-[[4-[(5-bromo-2-pyridyl)hydrazono]-3-oxo-1-cyclohexa-1,5-dienyl]-propylamino]propane-1-sulfonic acid
  • 3-[[4-[(5-bromopyridin-2-yl)hydrazinylidene]-3-oxo-1-cyclohexa-1,5-dienyl]-propyl-amino]propane-1-sulfonic acid
  • 3-[[4-[(5-bromopyridin-2-yl)hydrazinylidene]-3-oxo-1-cyclohexa-1,5-dienyl]-propylamino]propane-1-sulfonic acid
  • 5-br-paps
CAS Number(s)
  • 81608-06-2
InChIKey MEFHPMAYJRDDKT-HMMYKYKNSA-N
QR Code Generate QR Code
Links PubChem ChemSpider
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements C H O N S Br