Cas no 1828-38-2 ( )

  structure
  structure
Product Name: 
CAS No:1828-38-2
MF:C11H15F3IN
MW:345.143185853958
CID:907076
PubChem ID:23274459
Update Time:2025-04-19

  Chemical and Physical Properties

Names and Identifiers

    • trimethyl-[[3-(trifluoromethyl)phenyl]methyl]azanium,iodide
    • 3-Trifluor-methyl-benzyl-N.N.N-trimethylammonium-iodid
    • NSC31901
    • Trimethyl-< 3-trifluormethyl-benzyl> ammonium - Iodid
    • 1828-38-2
    • N,N,N-Trimethyl[3-(trifluoromethyl)phenyl]methanaminium iodide
    • NSC-31901
    • DTXSID80632287
    • &nbsp;
    • Inchi： 1S/C11H15F3N.HI/c1-15(2,3)8-9-5-4-6-10(7-9)11(12,13)14;/h4-7H,8H2,1-3H3;1H/q+1;/p-1
    • InChI Key： LPDPFGBUAZKDJZ-UHFFFAOYSA-M
    • SMILES： [I-].FC(C1=CC=CC(=C1)C[N+](C)(C)C)(F)F

Computed Properties

  • Exact Mass: 218.11575
  • Monoisotopic Mass: 345.02
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 16
  • Rotatable Bond Count: 2
  • Complexity: 205
  • 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
  • LogP: -0.08440

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