Cas no 820972-34-7 (Pyridinium, 1-(3-cyanopropyl)-, chloride)

Pyridinium, 1-(3-cyanopropyl)-, chloride structure
820972-34-7 structure
Product Name:Pyridinium, 1-(3-cyanopropyl)-, chloride
CAS No:820972-34-7
MF:C9H11ClN2
MW:182.650040864944
CID:699072
PubChem ID:57646975
Update Time:2025-04-19

Pyridinium, 1-(3-cyanopropyl)-, chloride Chemical and Physical Properties

Names and Identifiers

    • Pyridinium, 1-(3-cyanopropyl)-, chloride
    • 4-pyridin-1-ium-1-ylbutanenitrile,chloride
    • 4-pyridin-1-ium-1-ylbutanenitrile;chloride
    • 1-(3-Cyanopropyl)pyridinium chloride
    • DTXSID30583391
    • 1-(3-Cyanopropyl)pyridin-1-ium chloride
    • SCHEMBL2230144
    • 820972-34-7
    • MDL: MFCD09265187
    • Inchi: 1S/C9H11N2.ClH/c10-6-2-5-9-11-7-3-1-4-8-11;/h1,3-4,7-8H,2,5,9H2;1H/q+1;/p-1
    • InChI Key: VOKQCUHMWFKHFE-UHFFFAOYSA-M
    • SMILES: [Cl-].[N+]1(C=CC=CC=1)CCCC#N

Computed Properties

  • Exact Mass: 182.0610761g/mol
  • Monoisotopic Mass: 182.0610761g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 12
  • Rotatable Bond Count: 3
  • Complexity: 139
  • 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: 27.7?2

Experimental Properties

  • Melting Point: 130-135?°C

Pyridinium, 1-(3-cyanopropyl)-, chloride Security Information

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