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CS-W001157 4
Total: USD 88.00

4-Cyano-1-methyl-1H-imidazole-5-carboxylic acid

  • CAS No. 146091-76-1

  • Cat. No. CS-0373243
  • Purity≥98%
  • MDL No.None

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

4-Cyano-1-methyl-1H-imidazole-5-carboxylic acid|CS-0373243

Structure of 146091-76-1

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General Information

  • CAS No. 146091-76-1
  • Cat. No. CS-0373243
  • Purity ≥98%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₆H₅N₃O₂
  • Molecular Weight 151.12
  • Synonym(s) 1H-Imidazole-5-carboxylicacid,4-cyano-1-methyl-(9CI)
  • SMILES O=C(C1=C(C#N)N=CN1C)O

Synthesis

  • Route1
    • Ethyl 4-cyano-1-methyl-1H-imidazole-5-carboxylate|CS-1051303
      155372-92-2
    • ~87%
    • 4-Cyano-1-methyl-1H-imidazole-5-carboxylic acid|CS-0373243
      146091-76-1

    References

    • Subrayan, Ramachandran P.; Thurber, Ernest L.; Rasmussen, Paul G. Tetrahedron, 1994 , vol. 50, # 9 p. 2641 - 2656
  • Route2

    References

    • Subrayan, Ramachandran P.; Thurber, Ernest L.; Rasmussen, Paul G. Tetrahedron, 1994 , vol. 50, # 9 p. 2641 - 2656
  • Route3
    • Ethyl 4-cyano-1H-imidazole-5-carboxylate|CS-0636118
      59253-74-6
    • ~%
    • 4-Cyano-1-methyl-1H-imidazole-5-carboxylic acid|CS-0373243
      146091-76-1

    References

    • Subrayan, Ramachandran P.; Thurber, Ernest L.; Rasmussen, Paul G. Tetrahedron, 1994 , vol. 50, # 9 p. 2641 - 2656

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   78.91
  • LogP   -0.01002
  • H_Acceptors   4
  • H_Donors   1
  • Rotatable_Bonds   1

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