Cas no 819863-19-9 (1-Propanesulfonic acid, 3-[(1-methylcycloheptyl)amino]-)

1-Propanesulfonic acid, 3-[(1-methylcycloheptyl)amino]- structure
819863-19-9 structure
Product Name:1-Propanesulfonic acid, 3-[(1-methylcycloheptyl)amino]-
CAS No:819863-19-9
MF:C11H23NO3S
MW:249.370222330093
CID:702140
PubChem ID:16035945
Update Time:2025-04-19

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

Names and Identifiers

    • 1-Propanesulfonic acid, 3-[(1-methylcycloheptyl)amino]-
    • 3-[(1-methylcycloheptyl)amino]propane-1-sulfonic acid
    • 819863-19-9
    • QXDYMVCHLUHFDU-UHFFFAOYSA-N
    • 3-[(1-methylcycloheptyl)amino]-1-propanesulfonic acid
    • 3[(1-methylcycloheptyl)amino]-1-propanesulfonic acid
    • SCHEMBL354156
    • DTXSID40581166
    • Inchi: 1S/C11H23NO3S/c1-11(7-4-2-3-5-8-11)12-9-6-10-16(13,14)15/h12H,2-10H2,1H3,(H,13,14,15)
    • InChI Key: QXDYMVCHLUHFDU-UHFFFAOYSA-N
    • SMILES: S(CCCNC1(C)CCCCCC1)(=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: 5
  • Complexity: 287
  • 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: -0.7
  • Topological Polar Surface Area: 74.8?2

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