Cas no 68638-18-6 (N,N-diethyl-N-methyl-2-oxo-2-[(2,4,6-trimethylphenyl)amino]ethanaminium iodide)

N,N-diethyl-N-methyl-2-oxo-2-[(2,4,6-trimethylphenyl)amino]ethanaminium iodide structure
68638-18-6 structure
Product Name:N,N-diethyl-N-methyl-2-oxo-2-[(2,4,6-trimethylphenyl)amino]ethanaminium iodide
CAS No:68638-18-6
MF:C16H27IN2O
MW:390.302856683731
CID:1735016
PubChem ID:50227
Update Time:2025-04-21

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

Names and Identifiers

    • N,N-diethyl-N-methyl-2-oxo-2-[(2,4,6-trimethylphenyl)amino]ethanaminium iodide
    • diethyl-methyl-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]azanium,iodide
    • ZH-87
    • Ethanaminium, N,N-diethyl-N-methyl-2-oxo-2-((2,4,6-trimethylphenyl)amino)-, iodide
    • N,N-Diethyl-N-methyl-2-oxo-2-((2,4,6-trimethylphenyl)amino)ethanaminium iodide
    • 68638-18-6
    • Inchi: 1S/C16H26N2O.HI/c1-7-18(6,8-2)11-15(19)17-16-13(4)9-12(3)10-14(16)5;/h9-10H,7-8,11H2,1-6H3;1H
    • InChI Key: SMMZZZUXPOJRDP-UHFFFAOYSA-N
    • SMILES: [I-].O=C(C[N+](C)(CC)CC)NC1C(C)=CC(C)=CC=1C

Computed Properties

  • Exact Mass: 362.9051
  • Monoisotopic Mass: 390.11681g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 20
  • Rotatable Bond Count: 5
  • Complexity: 287
  • 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: 29.1?2

Experimental Properties

  • PSA: 31.17
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