3-(4-Methylquinolinium-1-yl)propane-1-sulfonate

Base Information

• Chemical Name: 3-(4-Methylquinolinium-1-yl)propane-1-sulfonate
• CAS No.: 56405-66-4
• Molecular Formula: C₁₃H₁₅NO₃S
• Molecular Weight: 265.333
• DSSTox Substance ID: DTXSID201219604

Synonyms:SCHEMBL19749239;DTXSID201219604;AKOS000507424;3-(4-methylquinolinium-1-yl)propane-1-sulfonate;Z56759690;Quinolinium, 4-methyl-1-(3-sulfopropyl)-, inner salt;56405-66-4

Chemical Property of 3-(4-Methylquinolinium-1-yl)propane-1-sulfonate

Chemical Property:

• XLogP3: 1.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 265.07726451
• Heavy Atom Count: 18
• Complexity: 350

Purity/Quality:

98% ^*data from raw suppliers

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MSDS Files:

Useful:

• Canonical SMILES: CC1=CC=[N+](C2=CC=CC=C12)CCCS(=O)(=O)[O-]

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