3-(3-Formylpyridin-1-ium-1-yl)propane-1-sulfonate

Base Information

• Chemical Name: 3-(3-Formylpyridin-1-ium-1-yl)propane-1-sulfonate
• CAS No.: 93803-27-1
• Molecular Formula: C9H11NO4S
• Molecular Weight: 229.2529
• Hs Code.: 2933399090
• European Community (EC) Number: 298-297-7
• DSSTox Substance ID: DTXSID601222120
• Mol file: 93803-27-1.mol

Synonyms:93803-27-1;3-(3-Formylpyridin-1-ium-1-yl)propane-1-sulfonate;EINECS 298-297-7;3-Formyl-1-(3-sulphonatopropyl)pyridinium;3-Formyl-1-(3-sulfopropyl)-pyridinium betaine;3-formyl-1-(3-sulfopropyl)-pyridinium-betaine;SCHEMBL3700839;SOPYNQPQCZIJCQ-UHFFFAOYSA-N;DTXSID601222120;NS00064194;3-Formyl-1-(3-sulforpropyl)pyridinum betaine;3-(3-formylpyridinium-1-yl)propane-1-sulfonate;A844711;Pyridinium, 3-formyl-1-(3-sulfopropyl)-, inner salt

Chemical Property of 3-(3-Formylpyridin-1-ium-1-yl)propane-1-sulfonate

Chemical Property:

• PSA: 86.53000
• LogP: 0.80270
• Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C
• XLogP3: -0.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 229.04087901
• Heavy Atom Count: 15
• Complexity: 282

Purity/Quality:

99% ^*data from raw suppliers

3-(3-Formylpyridin-1-ium-1-yl)propane-1-sulfonate 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=C[N+](=C1)CCCS(=O)(=O)[O-])C=O