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CS-W001157 4
Total: USD 88.00

1-Methyl-3-amino-4-cyanopyrazole

  • CAS No. 21230-50-2

  • Cat. No. CS-0028633
  • Purity≥98%
  • MDL No.MFCD11040163

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

1-Methyl-3-amino-4-cyanopyrazole|CS-0028633

Structure of 21230-50-2

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General Information

  • CAS No. 21230-50-2
  • Cat. No. CS-0028633
  • Purity ≥98%
  • MDL No. MFCD11040163
  • Storage 4°C, protect from light
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₅H₆N₄
  • Molecular Weight 122.13
  • Synonym(s) None
  • SMILES N#CC1=CN(C)N=C1N

Synthesis

  • Route1
    • 3-Amino-4-pyrazolecarbonitrile Allopurinol Impurity|CS-0229543
      16617-46-2
    • ~66%
    • In-stock
      1-Methyl-3-amino-4-cyanopyrazole|CS-0028633
      21230-50-2

    References

    • Venkatesan, Gopalakrishnan; Paira, Priyankar; Cheong, Siew Lee; Vamsikrishna, Kosaraju; Federico, Stephanie; Klotz, Karl-Norbert; Spalluto, Giampiero; Pastorin, Giorgia Bioorganic and Medicinal Chemistry, 2014 , vol. 22, # 5 p. 1751 - 1765
  • Route2
    • null|null
      38327-03-6
    • null|null
      122-51-0
    • null|null
      109-77-3
    • ~%
    • In-stock
      1-Methyl-3-amino-4-cyanopyrazole|CS-0028633
      21230-50-2

    References

    • WO2012/30924 A1, ; Page/Page column 133 ; WO 2012/030924 A1
  • Route3
    • 3-Amino-4-pyrazolecarbonitrile Allopurinol Impurity|CS-0229543
      16617-46-2
    • null|null
      74-88-4
    • ~68%
    • In-stock
      1-Methyl-3-amino-4-cyanopyrazole|CS-0028633
      21230-50-2
    • In-stock
      5-Amino-1-methyl-1H-pyrazole-4-carbonitrile|CS-W002376
      5334-41-8

    References

    • Paira, Priyankar; Chow, Mun Juinn; Venkatesan, Gopalakrishnan; Kosaraju, Vamsi Krishna; Cheong, Siew Lee; Klotz, Karl-Norbert; Ang, Wee Han; Pastorin, Giorgia Chemistry - A European Journal, 2013 , vol. 19, # 25 p. 8321 - 8330

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-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   67.63
  • LogP   -0.12602
  • H_Acceptors   4
  • H_Donors   1
  • Rotatable_Bonds   0

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