Cas no 819862-88-9 (1-Propanesulfonic acid, 3-([1,1'-biphenyl]-4-ylamino)-)

1-Propanesulfonic acid, 3-([1,1'-biphenyl]-4-ylamino)- structure
819862-88-9 structure
Product Name:1-Propanesulfonic acid, 3-([1,1'-biphenyl]-4-ylamino)-
CAS No:819862-88-9
MF:C15H17NO3S
MW:291.365382909775
CID:702165
PubChem ID:16035734
Update Time:2025-04-19

1-Propanesulfonic acid, 3-([1,1'-biphenyl]-4-ylamino)- Chemical and Physical Properties

Names and Identifiers

    • 1-Propanesulfonic acid, 3-([1,1'-biphenyl]-4-ylamino)-
    • 3-(4-phenylanilino)propane-1-sulfonic acid
    • 819862-88-9
    • 3-[([1,1'-Biphenyl]-4-yl)amino]propane-1-sulfonic acid
    • DTXSID90581151
    • SCHEMBL918230
    • Inchi: 1S/C15H17NO3S/c17-20(18,19)12-4-11-16-15-9-7-14(8-10-15)13-5-2-1-3-6-13/h1-3,5-10,16H,4,11-12H2,(H,17,18,19)
    • InChI Key: TVMQBTKBXYLWES-UHFFFAOYSA-N
    • SMILES: S(CCCNC1C=CC(C2C=CC=CC=2)=CC=1)(=O)(=O)O

Computed Properties

  • Exact Mass: 291.09291458g/mol
  • Monoisotopic Mass: 291.09291458g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 20
  • Rotatable Bond Count: 6
  • Complexity: 363
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 2.8
  • Topological Polar Surface Area: 74.8?2
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