Cas no 62581-20-8 (Piperidinium, 2-carboxy-1,1-dimethyl-, chloride)

Piperidinium, 2-carboxy-1,1-dimethyl-, chloride structure
62581-20-8 structure
Product Name:Piperidinium, 2-carboxy-1,1-dimethyl-, chloride
CAS No:62581-20-8
MF:C8H16ClNO2
MW:193.671141624451
CID:439395
PubChem ID:44382079
Update Time:2025-04-19

Piperidinium, 2-carboxy-1,1-dimethyl-, chloride Chemical and Physical Properties

Names and Identifiers

    • Piperidinium, 2-carboxy-1,1-dimethyl-, chloride
    • 1,1-dimethylpiperidin-1-ium-2-carboxylic acid,chloride
    • 62581-20-8
    • DTXSID90658610
    • 2-Carboxy-1,1-dimethylpiperidin-1-ium chloride
    • CHEMBL355518
    • Inchi: 1S/C8H15NO2.ClH/c1-9(2)6-4-3-5-7(9)8(10)11;/h7H,3-6H2,1-2H3;1H
    • InChI Key: MTHUYCKWLYBVJP-UHFFFAOYSA-N
    • SMILES: [Cl-].OC(C1CCCC[N+]1(C)C)=O

Computed Properties

  • Exact Mass: 176.9618
  • Monoisotopic Mass: 193.087
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 12
  • Rotatable Bond Count: 1
  • Complexity: 166
  • Covalently-Bonded Unit Count: 2
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 1
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 37.3A^2

Experimental Properties

  • PSA: 36.97

Piperidinium, 2-carboxy-1,1-dimethyl-, chloride Related Literature

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