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3-(Dimethylcarbamoyl)-1-methylpyridin-1-ium iodide

  • CAS No. 58287-38-0

  • Cat. No. CS-0511744
  • Purity≥98%
  • MDL No.None

*For research and further manufacturing use only, not for direct human use.

3-(Dimethylcarbamoyl)-1-methylpyridin-1-ium iodide|CS-0511744

Structure of 58287-38-0

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General Information

  • CAS No. 58287-38-0
  • Cat. No. CS-0511744
  • Purity ≥98%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₉H₁₃IN₂O
  • Molecular Weight 292.12
  • Synonym(s) 3-(Dimethylcarbamoyl)-1-methylpyridinium iodide
  • SMILES CN(C)C(=O)C1=C[N+](C)=CC=C1.[I-]

Synthesis

  • Route1
    • N,N-Dimethylnicotinamide|CS-0151347
      6972-69-6
    • null|null
      74-88-4
    • ~%
    • 3-(Dimethylcarbamoyl)-1-methylpyridin-1-ium iodide|CS-0511744
      58287-38-0

    References

    • Lamborg et al. Journal of the American Chemical Society, 1957 , vol. 79, p. 6173,6174

Safety Information

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GHS Pictogram : N/A
GHS No : N/A
Signal Word : N/A
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : N/A
Precautionary Statements : N/A

Quality Control

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Computational Chemistry Data

  • TPSA   24.19
  • LogP   -2.7831
  • H_Acceptors   1
  • H_Donors   0
  • Rotatable_Bonds   1

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