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CS-W001157 4
Total: USD 88.00

4-(Piperazin-1-yl)benzonitrile

  • CAS No. 68104-63-2

  • Cat. No. CS-W019066
  • Purity≥98%
  • MDL No.MFCD01320890

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

4-(Piperazin-1-yl)benzonitrile|CS-W019066

Structure of 68104-63-2

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General Information

  • CAS No. 68104-63-2
  • Cat. No. CS-W019066
  • Purity ≥98%
  • MDL No. MFCD01320890
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₁H₁₃N₃
  • Molecular Weight 187.24
  • Synonym(s) 4-piperazin-1-ylbenzonitrile
  • SMILES N#CC1=CC=C(N2CCNCC2)C=C1

Description

4-(Piperazin-1-yl)benzonitrile features a para-linked piperazine ring that imparts enhanced solubility and hydrogen-bonding capacity, while the nitrile group provides a polar, electron-withdrawing handle for downstream functionalization. This combination enables efficient integration into pharmaceutical scaffolds and ligand design.

Synthesis

  • Route1
    • null|null
      110-85-0
    • In-stock
      4-Chlorobenzonitrile|CS-W018544
      623-03-0
    • ~92%
    • In-stock
      4-(Piperazin-1-yl)benzonitrile|CS-W019066
      68104-63-2

    References

    • LANXESS Deutschland GmbH Patent: US2005/250791 A1, 2005 ; Location in patent: Page/Page column 5 ;
  • Route2
    • null|null
      110-85-0
    • null|null
      1194-02-1
    • ~93%
    • In-stock
      4-(Piperazin-1-yl)benzonitrile|CS-W019066
      68104-63-2

    References

    • Tahghighi, Azar; Marznaki, Farzane Rezazade; Kobarfard, Farzad; Dastmalchi, Siavoush; Mojarrad, Javid Shahbazi; Razmi, Sepideh; Ardestani, Sussan Kabudanian; Emami, Saeed; Shafiee, Abbas; Foroumadi, Alireza European Journal of Medicinal Chemistry, 2011 , vol. 46, # 6 p. 2602 - 2608
  • Route3

    References

    • Journal of Medicinal Chemistry, , vol. 54, # 8 p. 3086 - 3090

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   39.06
  • LogP   0.96788
  • H_Acceptors   3
  • H_Donors   1
  • Rotatable_Bonds   1

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