Cas no 61533-03-7 (N-benzyl-2-methoxy-N,N-dimethyl-2-oxoethanaminium)

N-benzyl-2-methoxy-N,N-dimethyl-2-oxoethanaminium structure
61533-03-7 structure
Product Name:N-benzyl-2-methoxy-N,N-dimethyl-2-oxoethanaminium
CAS No:61533-03-7
MF:C12H18ClNO2
MW:243.729822635651
CID:954634
PubChem ID:12283617
Update Time:2025-04-19

N-benzyl-2-methoxy-N,N-dimethyl-2-oxoethanaminium Chemical and Physical Properties

Names and Identifiers

    • N-benzyl-2-methoxy-N,N-dimethyl-2-oxoethanaminium
    • benzyl-(2-methoxy-2-oxoethyl)-dimethylazanium,chloride
    • NSC317012
    • NSC-317012
    • DTXSID60977103
    • N-Benzyl-2-methoxy-N,N-dimethyl-2-oxoethan-1-aminium chloride
    • 61533-03-7
    • Inchi: 1S/C12H18NO2.ClH/c1-13(2,10-12(14)15-3)9-11-7-5-4-6-8-11;/h4-8H,9-10H2,1-3H3;1H/q+1;/p-1
    • InChI Key: OCDYOAYKXQVUFI-UHFFFAOYSA-M
    • SMILES: [Cl-].O(C)C(C[N+](C)(C)CC1C=CC=CC=1)=O

Computed Properties

  • Exact Mass: 208.13384
  • Monoisotopic Mass: 243.1026065g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 16
  • Rotatable Bond Count: 5
  • Complexity: 208
  • 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: 26.3?2

Experimental Properties

  • PSA: 26.3
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