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CS-W001157 4
Total: USD 88.00

3-Amino-4-(isopropylamino)benzonitrile

  • CAS No. 355022-20-7

  • Cat. No. CS-0209791
  • Molecule weight175.23
  • Purity≥98%
  • MDL No.MFCD09031713

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

3-Amino-4-(isopropylamino)benzonitrile|CS-0209791

Structure of 355022-20-7

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General Information

  • CAS No. 355022-20-7
  • Cat. No. CS-0209791
  • Purity ≥98%
  • MDL No. MFCD09031713
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₀H₁₃N₃
  • Molecular Weight 175.23
  • Synonym(s) 3-AMINO-4-ISOPROPYLAMINO-BENZONITRILE
  • SMILES N#CC1=CC=C(NC(C)C)C(N)=C1

Synthesis

  • Route1

    References

    • Goeker, Hakan; Kus, Canan; Boykin, David W.; Yildiz, Sulhiye; Altanlar, Nurten Bioorganic and Medicinal Chemistry, 2002 , vol. 10, # 8 p. 2589 - 2596
  • Route2

    References

    • Semple, Graeme; Skinner, Philip J.; Cherrier, Martin C.; Webb, Peter J.; Sage, Carleton R.; Tamura, Susan Y.; Chen, Ruoping; Richman, Jeremy G.; Connolly, Daniel T. Journal of Medicinal Chemistry, 2006 , vol. 49, # 4 p. 1227 - 1230
  • Route3
    • 4-Chloro-3-nitrobenzonitrile Alectinib Impurity|CS-0204133
      939-80-0
    • ~%
    • 3-Amino-4-(isopropylamino)benzonitrile|CS-0209791
      355022-20-7

    References

    • Goeker, Hakan; Tuncbilek, Meral; Suezen, Sibel; Kus, Canan; Altanlar, Nurten Archiv der Pharmazie, 2001 , vol. 334, # 5 p. 148 - 152

Safety Information

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Computational Chemistry Data

  • TPSA   61.84
  • LogP   1.96078
  • H_Acceptors   3
  • H_Donors   2
  • Rotatable_Bonds   2

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