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CS-W001157 4
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4-(Ethylamino)-3-nitrobenzonitrile

  • CAS No. 90349-18-1

  • Cat. No. CS-0461439
  • Molecule weight191.19
  • Purity≥98%
  • MDL No.MFCD00186035

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

4-(Ethylamino)-3-nitrobenzonitrile|CS-0461439

Structure of 90349-18-1

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General Information

  • CAS No. 90349-18-1
  • Cat. No. CS-0461439
  • Purity ≥98%
  • MDL No. MFCD00186035
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₉H₉N₃O₂
  • Molecular Weight 191.19
  • Synonym(s) 4-Ethylamino-3-nitro-benzonitrile
  • SMILES CCNC1=C(C=C(C=C1)C#N)[N+](=O)[O-]

Synthesis

  • Route1

    References

    • EXELIXIS, INC. Patent: WO2006/20680 A2, 2006 ; Location in patent: Page/Page column 72 ; WO 2006/020680 A2
  • Route2
    • 4-Chloro-3-nitrobenzonitrile Alectinib Impurity|CS-0204133
      939-80-0
    • null|null
      75-04-7
    • ~91%
    • 4-(Ethylamino)-3-nitrobenzonitrile|CS-0461439
      90349-18-1

    References

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

Safety Information

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Hazard Statements : N/A
Precautionary Statements : N/A

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Computational Chemistry Data

  • TPSA   78.96
  • LogP   1.89828
  • H_Acceptors   4
  • H_Donors   1
  • Rotatable_Bonds   3

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