Cas no 101537-17-1 (TETRAHEPTYLAMMONIUM HYDROGEN SULFATE)

TETRAHEPTYLAMMONIUM HYDROGEN SULFATE structure
101537-17-1 structure
Product Name:TETRAHEPTYLAMMONIUM HYDROGEN SULFATE
CAS No:101537-17-1
MF:C28H61NO4S
MW:507.853248357773
CID:124683
PubChem ID:13794158
Update Time:2025-04-18

TETRAHEPTYLAMMONIUM HYDROGEN SULFATE Chemical and Physical Properties

Names and Identifiers

    • TETRAHEPTYLAMMONIUM HYDROGEN SULFATE
    • tetra-n-octylaMMoniuM hydrogen sulfate
    • hydrogen sulfate,tetraheptylazanium
    • tetraheptyl-ammonium hydrosulfate
    • N,N,N-Triheptylheptan-1-aminium hydrogen sulfate
    • 101537-17-1
    • hydrogen sulfate;tetraheptylazanium
    • DTXSID90549635
    • Inchi: 1S/C28H60N.H2O4S/c1-5-9-13-17-21-25-29(26-22-18-14-10-6-2,27-23-19-15-11-7-3)28-24-20-16-12-8-4;1-5(2,3)4/h5-28H2,1-4H3;(H2,1,2,3,4)/q+1;/p-1
    • InChI Key: FGGOKAOXDKDBTG-UHFFFAOYSA-M
    • SMILES: S(=O)(=O)([O-])O.[N+](CCCCCCC)(CCCCCCC)(CCCCCCC)CCCCCCC

Computed Properties

  • Exact Mass: 507.43243
  • Monoisotopic Mass: 507.43213060g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 34
  • Rotatable Bond Count: 24
  • Complexity: 313
  • Covalently-Bonded Unit Count: 2
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 85.8?2

Experimental Properties

  • PSA: 77.43
  • LogP: 9.77020

TETRAHEPTYLAMMONIUM HYDROGEN SULFATE Security Information

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