Cas no 111-98-8 (1-Octadecanaminium,N-ethyl-N,N-dimethyl-, bromide (1:1))

1-Octadecanaminium,N-ethyl-N,N-dimethyl-, bromide (1:1) structure
111-98-8 structure
Product Name:1-Octadecanaminium,N-ethyl-N,N-dimethyl-, bromide (1:1)
CAS No:111-98-8
MF:C22H48BrN
MW:406.527226448059
CID:179227
PubChem ID:22348532
Update Time:2025-04-19

1-Octadecanaminium,N-ethyl-N,N-dimethyl-, bromide (1:1) Chemical and Physical Properties

Names and Identifiers

    • 1-Octadecanaminium,N-ethyl-N,N-dimethyl-, bromide (1:1)
    • Ethyl dimethyl stearyl ammonium bromide
    • Ethyldimethyloctadecylammonium bromide
    • N,N-dimethyl-N-ethyloctadecylammonium bromide
    • N-ethyl-N,N-dimethyloctadecan-1-aminium
    • DTXSID9042201
    • ethyl-dimethyl-octadecylazanium;bromide
    • NSC 22997
    • N-Ethyl-N,N-dimethyl stearyl ammonium bromide
    • NSC22997
    • NSC-22997
    • SCHEMBL239118
    • 111-98-8
    • 1-Octadecanaminium, N-ethyl-N,N-dimethyl-, bromide
    • NS00126474
    • 1-Octadecanaminium,N-dimethyl-, bromide
    • Inchi: 1S/C22H48N.BrH/c1-5-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23(3,4)6-2;/h5-22H2,1-4H3;1H/q+1;/p-1
    • InChI Key: WSPPHMXAIHWZAH-UHFFFAOYSA-M
    • SMILES: [Br-].[N+](C)(C)(CC)CCCCCCCCCCCCCCCCCC

Computed Properties

  • Exact Mass: 326.37894
  • Monoisotopic Mass: 405.297
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 1
  • Heavy Atom Count: 24
  • Rotatable Bond Count: 18
  • Complexity: 222
  • 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: 0A^2

Experimental Properties

  • Boiling Point: °Cat760mmHg
  • Flash Point: °C
  • PSA: 0
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