Cas no 76841-73-1 (1-Octanaminium, N-methyl-N,N-dioctyl-, sulfate (2:1))

1-Octanaminium, N-methyl-N,N-dioctyl-, sulfate (2:1) structure
76841-73-1 structure
Product Name:1-Octanaminium, N-methyl-N,N-dioctyl-, sulfate (2:1)
CAS No:76841-73-1
MF:C50H108N2O4S
MW:833.468535423279
CID:537155
PubChem ID:20196248
Update Time:2025-04-19

1-Octanaminium, N-methyl-N,N-dioctyl-, sulfate (2:1) Chemical and Physical Properties

Names and Identifiers

    • 1-Octanaminium, N-methyl-N,N-dioctyl-, sulfate (2:1)
    • methyl(trioctyl)azanium,sulfate
    • DTXSID10603420
    • Bis(N-methyl-N,N-dioctyloctan-1-aminium) sulfate
    • 76841-73-1
    • SCHEMBL2995826
    • methyltrioctylammonium sulfate
    • Inchi: 1S/2C25H54N.H2O4S/c2*1-5-8-11-14-17-20-23-26(4,24-21-18-15-12-9-6-2)25-22-19-16-13-10-7-3;1-5(2,3)4/h2*5-25H2,1-4H3;(H2,1,2,3,4)/q2*+1;/p-2
    • InChI Key: QYQXCUGHLJZLMP-UHFFFAOYSA-L
    • SMILES: S(=O)(=O)([O-])[O-].[N+](C)(CCCCCCCC)(CCCCCCCC)CCCCCCCC.[N+](C)(CCCCCCCC)(CCCCCCCC)CCCCCCCC

Computed Properties

  • Exact Mass: 832.80298110g/mol
  • Monoisotopic Mass: 832.80298110g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 57
  • Rotatable Bond Count: 42
  • Complexity: 282
  • Covalently-Bonded Unit Count: 3
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 88.6?2
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