Cas no 61659-30-1 (Piperidinium, 1,1-dimethyl-, benzoate)

Piperidinium, 1,1-dimethyl-, benzoate structure
61659-30-1 structure
Product Name:Piperidinium, 1,1-dimethyl-, benzoate
CAS No:61659-30-1
MF:C14H21NO2
MW:235.32204413414
CID:471005
PubChem ID:71393662
Update Time:2025-04-19

Piperidinium, 1,1-dimethyl-, benzoate Chemical and Physical Properties

Names and Identifiers

    • Piperidinium, 1,1-dimethyl-, benzoate
    • 1,1-dimethylpiperidin-1-ium,benzoate
    • 61659-30-1
    • 1,1-Dimethylpiperidin-1-ium benzoate
    • DTXSID00815419
    • Inchi: 1S/C7H16N.C7H6O2/c1-8(2)6-4-3-5-7-8;8-7(9)6-4-2-1-3-5-6/h3-7H2,1-2H3;1-5H,(H,8,9)/q+1;/p-1
    • InChI Key: BGELMRLJIJWQEX-UHFFFAOYSA-M
    • SMILES: [O-]C(C1C=CC=CC=1)=O.[N+]1(C)(C)CCCCC1

Computed Properties

  • Exact Mass: 235.15733
  • Monoisotopic Mass: 235.157228913g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 17
  • Rotatable Bond Count: 0
  • Complexity: 166
  • 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: 40.1?2

Experimental Properties

  • PSA: 40.13
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