Cas no 59333-81-2 (N,N,N-triethyl-2-oxo-2-[(2,4,6-trimethylphenyl)amino]ethanaminium)

N,N,N-triethyl-2-oxo-2-[(2,4,6-trimethylphenyl)amino]ethanaminium structure
59333-81-2 structure
Product Name:N,N,N-triethyl-2-oxo-2-[(2,4,6-trimethylphenyl)amino]ethanaminium
CAS No:59333-81-2
MF:C17H29N2O
MW:277.424964666367
CID:1614594
PubChem ID:43005
Update Time:2025-04-21

N,N,N-triethyl-2-oxo-2-[(2,4,6-trimethylphenyl)amino]ethanaminium Chemical and Physical Properties

Names and Identifiers

    • N,N,N-triethyl-2-oxo-2-[(2,4,6-trimethylphenyl)amino]ethanaminium
    • triethyl-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]azanium
    • Ethanaminium, N,N,N-triethyl-2-oxo-2-((2,4,6-trimethylphenyl)amino)-
    • AMMONIUM, TRIETHYL(((2,4,6-TRIMETHYLPHENYL)CARBAMOYL)METHYL)-
    • DTXSID80208067
    • SCHEMBL18485556
    • Triethyl(((2,4,6-trimethylphenyl)carbamoyl)methyl)ammonium
    • 59333-81-2
    • Inchi: 1S/C17H28N2O/c1-7-19(8-2,9-3)12-16(20)18-17-14(5)10-13(4)11-15(17)6/h10-11H,7-9,12H2,1-6H3/p+1
    • InChI Key: RMIMOGUETLLFGX-UHFFFAOYSA-O
    • SMILES: O=C(C[N+](CC)(CC)CC)NC1C(C)=CC(C)=CC=1C

Computed Properties

  • Exact Mass: 277.22817
  • Monoisotopic Mass: 277.227988553g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 1
  • Heavy Atom Count: 20
  • Rotatable Bond Count: 6
  • Complexity: 292
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 3.4
  • Topological Polar Surface Area: 29.1?2

Experimental Properties

  • PSA: 29.1
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