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5-Amino-1-(2,4-dimethylphenyl)-1H-pyrazole-4-carbonitrile

  • CAS No. 852313-93-0

  • Cat. No. CS-0122728
  • Molecule weight212.25
  • Purity≥98%
  • MDL No.MFCD03407395

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

5-Amino-1-(2,4-dimethylphenyl)-1H-pyrazole-4-carbonitrile|CS-0122728

Structure of 852313-93-0

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General Information

  • CAS No. 852313-93-0
  • Cat. No. CS-0122728
  • Purity ≥98%
  • MDL No. MFCD03407395
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₂H₁₂N₄
  • Molecular Weight 212.25
  • Synonym(s) None
  • SMILES N#CC1=C(N)N(C2=CC=C(C)C=C2C)N=C1

Synthesis

  • Route1
    • 2-(Ethoxymethylene)propanedinitrile|CS-0653697
      123-06-8
    • (2,4-Dimethylphenyl)hydrazine|CS-0454280
      615-00-9
    • ~77%
    • 5-Amino-1-(2,4-dimethylphenyl)-1H-pyrazole-4-carbonitrile|CS-0122728
      852313-93-0

    References

    • Niswender, Colleen M.; Lebois, Evan P.; Luo, Qingwei; Kim, Kwangho; Muchalski, Hubert; Yin, Huiyong; Conn, P. Jeffrey; Lindsley, Craig W. Bioorganic and Medicinal Chemistry Letters, 2008 , vol. 18, # 20 p. 5626 - 5630

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

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Computational Chemistry Data

  • TPSA   67.63
  • LogP   1.94302
  • H_Acceptors   4
  • H_Donors   1
  • Rotatable_Bonds   1

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