Cas no 89315-52-6 (1-Butanaminium, N,N-dibutyl-N-ethyl-, sulfate (2:1))

1-Butanaminium, N,N-dibutyl-N-ethyl-, sulfate (2:1) structure
89315-52-6 structure
Product Name:1-Butanaminium, N,N-dibutyl-N-ethyl-, sulfate (2:1)
CAS No:89315-52-6
MF:C28H64N2O4S
MW:524.883768081665
CID:604438
PubChem ID:21118153
Update Time:2025-04-19

1-Butanaminium, N,N-dibutyl-N-ethyl-, sulfate (2:1) Chemical and Physical Properties

Names and Identifiers

    • 1-Butanaminium, N,N-dibutyl-N-ethyl-, sulfate (2:1)
    • tributyl(ethyl)azanium,sulfate
    • Bis(N,N-dibutyl-N-ethylbutan-1-aminium) sulfate
    • DTXSID50610875
    • 89315-52-6
    • SCHEMBL17102693
    • Inchi: 1S/2C14H32N.H2O4S/c2*1-5-9-12-15(8-4,13-10-6-2)14-11-7-3;1-5(2,3)4/h2*5-14H2,1-4H3;(H2,1,2,3,4)/q2*+1;/p-2
    • InChI Key: CZACGLYOFDMRKX-UHFFFAOYSA-L
    • SMILES: S(=O)(=O)([O-])[O-].[N+](CC)(CCCC)(CCCC)CCCC.[N+](CC)(CCCC)(CCCC)CCCC

Computed Properties

  • Exact Mass: 524.45867970g/mol
  • Monoisotopic Mass: 524.45867970g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 35
  • Rotatable Bond Count: 20
  • Complexity: 172
  • 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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