Cas no 819863-18-8 (1-Propanesulfonic acid, 3-[(1-methylcyclohexyl)amino]-)

1-Propanesulfonic acid, 3-[(1-methylcyclohexyl)amino]- structure
819863-18-8 structure
Product Name:1-Propanesulfonic acid, 3-[(1-methylcyclohexyl)amino]-
CAS No:819863-18-8
MF:C10H21NO3S
MW:235.343641996384
CID:702141
PubChem ID:16035848
Update Time:2025-04-19

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

Names and Identifiers

    • 1-Propanesulfonic acid, 3-[(1-methylcyclohexyl)amino]-
    • 3-[(1-methylcyclohexyl)amino]propane-1-sulfonic acid
    • DTXSID40581161
    • SIOWLTTVQDAONL-UHFFFAOYSA-N
    • SCHEMBL353831
    • 3-[(1-methylcyclohexyl)amino]-1-propanesulfonic acid
    • 819863-18-8
    • Inchi: 1S/C10H21NO3S/c1-10(6-3-2-4-7-10)11-8-5-9-15(12,13)14/h11H,2-9H2,1H3,(H,12,13,14)
    • InChI Key: SIOWLTTVQDAONL-UHFFFAOYSA-N
    • SMILES: S(CCCNC1(C)CCCCC1)(=O)(=O)O

Computed Properties

  • Exact Mass: 235.12421471g/mol
  • Monoisotopic Mass: 235.12421471g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 15
  • Rotatable Bond Count: 5
  • Complexity: 276
  • 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: -1.2
  • Topological Polar Surface Area: 74.8?2
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