Cas no 3881-14-9 (1-Octadecanaminium,N,N,N-triethyl-, bromide (1:1))

1-Octadecanaminium,N,N,N-triethyl-, bromide (1:1) structure
3881-14-9 structure
Product Name:1-Octadecanaminium,N,N,N-triethyl-, bromide (1:1)
CAS No:3881-14-9
MF:C24H52BrN
MW:434.580387115479
CID:313387
PubChem ID:10765288
Update Time:2025-04-19

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

Names and Identifiers

    • 1-Octadecanaminium,N,N,N-triethyl-, bromide (1:1)
    • triethyl(octadecyl)azanium,bromide
    • 3,4-diethylicosan-3-aminium bromide
    • Triethyloctadecylammonium bromide
    • CHEMBL149870
    • N,N,N-Triethyloctadecan-1-aminium bromide
    • 3881-14-9
    • SCHEMBL674103
    • DTXSID20959607
    • NS00046766
    • EINECS 223-410-3
    • Inchi: 1S/C24H52N.BrH/c1-5-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25(6-2,7-3)8-4;/h5-24H2,1-4H3;1H/q+1;/p-1
    • InChI Key: QHTJNIWEAQKWRP-UHFFFAOYSA-M
    • SMILES: [Br-].[N+](CC)(CC)(CC)CCCCCCCCCCCCCCCCCC

Computed Properties

  • Exact Mass: 380.9214
  • Monoisotopic Mass: 433.328313
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 1
  • Heavy Atom Count: 26
  • Rotatable Bond Count: 19
  • Complexity: 257
  • Covalently-Bonded Unit Count: 2
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 1
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 27.6

Experimental Properties

  • Boiling Point: 409.7°Cat760mmHg
  • Flash Point: 199.4°C
  • PSA: 22.3
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