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CS-W001157 4
Total: USD 88.00

1-Benzyl-3-carbamoylpyridin-1-ium bromide

  • CAS No. 13076-43-2

  • Cat. No. CS-0358098
  • Molecule weight293.16
  • Purity≥98%
  • MDL No.MFCD00160345

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

1-Benzyl-3-carbamoylpyridin-1-ium bromide|CS-0358098

Structure of 13076-43-2

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General Information

  • CAS No. 13076-43-2
  • Cat. No. CS-0358098
  • Purity ≥98%
  • MDL No. MFCD00160345
  • Storage RT, stored under nitrogen, away from moisture
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₃H₁₃BrN₂O
  • Molecular Weight 293.16
  • Synonym(s) Pyridinium, 3-(aminocarbonyl)-1-(phenylmethyl)-, bromide
  • SMILES C1=CC=C(C=C1)C[N+]2=CC(=CC=C2)C(=O)N.[Br-]

Synthesis

  • Route1

    References

    • Oh, Jinrok; Hong, Jong-In Organic Letters, 2013 , vol. 15, # 6 p. 1210 - 1213
  • Route2
    • null|null
      5096-13-9
    • ~%
    • 1-Benzyl-3-carbamoylpyridin-1-ium bromide|CS-0358098
      13076-43-2

    References

    • Anne, Agnes Heterocycles, 1992 , vol. 34, # 12 p. 2331 - 2337
  • Route3
    • null|null
      65032-86-2
    • ~%
    • 1-Benzyl-3-carbamoylpyridin-1-ium bromide|CS-0358098
      13076-43-2

    References

    • Donati, Donato; Fusi, Stefania; Macripo, Maria Adelaide; Ponticelli, Fabio Journal of Heterocyclic Chemistry, 1987 , vol. 24, p. 481 - 483

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS07
Signal Word : Warning
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : H302-H315-H319-H335
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P330-P362+P364-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   46.97
  • LogP   -1.8747
  • H_Acceptors   1
  • H_Donors   1
  • Rotatable_Bonds   3

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