3-Picolinium, 1-(3-sulfopropyl)-, hydroxide, inner salt

Base Information

• Chemical Name: 3-Picolinium, 1-(3-sulfopropyl)-, hydroxide, inner salt
• CAS No.: 14933-13-2
• Molecular Formula: C9H13NO3S
• Molecular Weight: 215.27
• European Community (EC) Number: 239-004-4
• DSSTox Substance ID: DTXSID30164220
• Wikidata: Q83033270
• Mol file: 14933-13-2.mol

Synonyms:14933-13-2;3-Picolinium, 1-(3-sulfopropyl)-, hydroxide, inner salt;3-(3-methylpyridin-1-ium-1-yl)propane-1-sulfonate;EINECS 239-004-4;SCHEMBL21523393;DTXSID30164220;PYRIDINIUM, 3-METHYL-1-(3-SULFOPROPYL)-, INNER SALT

Chemical Property of 3-Picolinium, 1-(3-sulfopropyl)-, hydroxide, inner salt

Chemical Property:

• PSA: 69.46000
• LogP: 1.29860
• XLogP3: 0.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 215.06161445
• Heavy Atom Count: 14
• Complexity: 244

Purity/Quality:

98%min ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=C[N+](=CC=C1)CCCS(=O)(=O)[O-]