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CS-W001157 4
Total: USD 88.00

3-Amino-4-pyrazolecarbonitrile Allopurinol Impurity

  • CAS No. 16617-46-2

  • Cat. No. CS-0229543
  • Molecule weight108.10
  • Purity≥98%
  • MDL No.MFCD00005237

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

3-Amino-4-pyrazolecarbonitrile Allopurinol Impurity|CS-0229543

Structure of 16617-46-2

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General Information

  • CAS No. 16617-46-2
  • Cat. No. CS-0229543
  • Purity ≥98%
  • MDL No. MFCD00005237
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₄H₄N₄
  • Molecular Weight 108.10
  • Synonym(s) 3-amino-1H-pyrazole-4-carbonitrile;3-Amino-4-Pyrazolecarbonitrile
  • SMILES N#CC1=CNN=C1N

Synthesis

  • Route1
    • 2-(Ethoxymethylene)propanedinitrile|CS-0653697
      123-06-8
    • ~78%
    • 3-Amino-4-pyrazolecarbonitrile Allopurinol Impurity|CS-0229543
      16617-46-2

    References

    • Xu, Jingli; Liu, Hang; Li, Guixia; He, Yong; Ding, Rui; Wang, Xiao; Feng, Man; Zhang, Shuting; Chen, Yurong; Li, Shilei; Zhao, Mingxia; Qi, Chuanmin; Dang, Yonghong Bioorganic and Medicinal Chemistry Letters, 2011 , vol. 21, # 16 p. 4736 - 4741
  • Route2
    • null|null
      122-51-0
    • null|null
      109-77-3
    • ~73%
    • 3-Amino-4-pyrazolecarbonitrile Allopurinol Impurity|CS-0229543
      16617-46-2

    References

    • Li, Juan; Zhao, Yan Fang; Zhao, Xiang Lin; Yuan, Xiao Ye; Gong, Ping Archiv der Pharmazie, 2006 , vol. 339, # 11 p. 593 - 597
  • Route3
    • null|null
      7803-57-8
    • 2-(Ethoxymethylene)propanedinitrile|CS-0653697
      123-06-8
    • ~81%
    • 3-Amino-4-pyrazolecarbonitrile Allopurinol Impurity|CS-0229543
      16617-46-2

    References

    • Ding, Rui; He, Yong; Xu, Jingli; Liu, Hang; Wang, Xiao; Feng, Man; Qi, Chuanmin; Zhang, Junbo; Peng, Cheng Medicinal Chemistry Research, 2012 , vol. 21, # 4 p. 523 - 530

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS07
Signal Word : Warning
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : H315-H319
Precautionary Statements : P264-P280-P302+P352-P362

Quality Control

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Computational Chemistry Data

  • TPSA   78.49
  • LogP   -0.13642
  • H_Acceptors   3
  • H_Donors   2
  • Rotatable_Bonds   0

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