Cas no 819863-23-5 (1-Propanesulfonic acid, 3-[[(1S)-1-cyclohexylethyl]amino]-)

1-Propanesulfonic acid, 3-[[(1S)-1-cyclohexylethyl]amino]- structure
819863-23-5 structure
Product Name:1-Propanesulfonic acid, 3-[[(1S)-1-cyclohexylethyl]amino]-
CAS No:819863-23-5
MF:C11H23NO3S
MW:249.370222330093
CID:702136
PubChem ID:58931800
Update Time:2025-04-19

1-Propanesulfonic acid, 3-[[(1S)-1-cyclohexylethyl]amino]- Chemical and Physical Properties

Names and Identifiers

    • 1-Propanesulfonic acid, 3-[[(1S)-1-cyclohexylethyl]amino]-
    • 819863-23-5
    • DTXSID00730633
    • SCHEMBL353963
    • 3-{[(1S)-1-Cyclohexylethyl]amino}propane-1-sulfonic acid
    • Inchi: 1S/C11H23NO3S/c1-10(11-6-3-2-4-7-11)12-8-5-9-16(13,14)15/h10-12H,2-9H2,1H3,(H,13,14,15)/t10-/m0/s1
    • InChI Key: ISIMAFLHGCNJJX-JTQLQIEISA-N
    • SMILES: S(CCCN[C@@H](C)C1CCCCC1)(=O)(=O)O

Computed Properties

  • Exact Mass: 249.13986477g/mol
  • Monoisotopic Mass: 249.13986477g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 16
  • Rotatable Bond Count: 6
  • Complexity: 278
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 1
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: -0.4
  • Topological Polar Surface Area: 74.8?2
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