Cas no 78572-45-9 (Pyridinium, 1-(2-amino-2-oxoethyl)-4-methyl-, chloride(1:1))

Pyridinium, 1-(2-amino-2-oxoethyl)-4-methyl-, chloride(1:1) structure
78572-45-9 structure
Product Name:Pyridinium, 1-(2-amino-2-oxoethyl)-4-methyl-, chloride(1:1)
CAS No:78572-45-9
MF:C8H11ClN2O
MW:186.638740777969
CID:580774
PubChem ID:12710922
Update Time:2025-04-19

Pyridinium, 1-(2-amino-2-oxoethyl)-4-methyl-, chloride(1:1) Chemical and Physical Properties

Names and Identifiers

    • Pyridinium, 1-(2-amino-2-oxoethyl)-4-methyl-, chloride(1:1)
    • 2-(4-methylpyridin-1-ium-1-yl)acetamide,chloride
    • 78572-45-9
    • DTXSID40507644
    • AKOS024331392
    • NSC296146
    • NSC-296146
    • 1-(2-Amino-2-oxoethyl)-4-methylpyridin-1-ium chloride
    • Inchi: 1S/C8H10N2O.ClH/c1-7-2-4-10(5-3-7)6-8(9)11;/h2-5H,6H2,1H3,(H-,9,11);1H
    • InChI Key: VVDHUUAEMNVRLG-UHFFFAOYSA-N
    • SMILES: [Cl-].O=C(C[N+]1C=CC(C)=CC=1)N

Computed Properties

  • Exact Mass: 186.056
  • Monoisotopic Mass: 186.056
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 12
  • Rotatable Bond Count: 2
  • 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: 47A^2

Experimental Properties

  • Boiling Point: °Cat760mmHg
  • Flash Point: °C
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