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CS-W001157 4
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4-(Butylamino)benzonitrile

  • CAS No. 4714-65-2

  • Cat. No. CS-0305401
  • Molecule weight174.24
  • Purity≥95%
  • MDL No.None

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

4-(Butylamino)benzonitrile|CS-0305401

Structure of 4714-65-2

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General Information

  • CAS No. 4714-65-2
  • Cat. No. CS-0305401
  • Purity ≥95%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₁H₁₄N₂
  • Molecular Weight 174.24
  • Synonym(s) (7,7-dioxo-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-yl) 3-chlorobenzoate
  • SMILES N#CC1=CC=C(NCCCC)C=C1

Synthesis

  • Route1

    References

    • Louie, Janis; Driver, Michael S.; Hamann, Blake C.; Hartwig, John F. Journal of Organic Chemistry, 1997 , vol. 62, # 5 p. 1268 - 1273
  • Route2
    • null|null
      109-72-8
    • null|null
      29577-88-6
    • ~86%
    • 4-(Butylamino)benzonitrile|CS-0305401
      4714-65-2

    References

    • Barbero, Margherita; Degani, Iacopo; Dughera, Stefano; Fochi, Rita Synthesis, 2003 , # 5 p. 742 - 750
  • Route3

    References

    • Sahyun Labor. Patent: US2733244 , 1954 ; Full Text Show Details Pfizer and Co. Patent: DE1015805 , 1957 ;

Safety Information

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Computational Chemistry Data

  • TPSA   35.82
  • LogP   2.77028
  • H_Acceptors   2
  • H_Donors   1
  • Rotatable_Bonds   4

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