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CS-W001157 4
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3-((4-Methylpiperazin-1-yl)methyl)benzonitrile

  • CAS No. 859850-90-1

  • Cat. No. CS-0151069
  • Purity≥95%
  • MDL No.MFCD07772861

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

3-((4-Methylpiperazin-1-yl)methyl)benzonitrile|CS-0151069

Structure of 859850-90-1

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General Information

  • CAS No. 859850-90-1
  • Cat. No. CS-0151069
  • Purity ≥95%
  • MDL No. MFCD07772861
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₃H₁₇N₃
  • Molecular Weight 215.29
  • Synonym(s) 3-[(4-METHYLPIPERAZIN-1-YL)METHYL]BENZONITRILE
  • SMILES CN1CCN(CC1)CC2=CC=CC(=C2)C#N

Synthesis

  • Route1

    References

    • Thaler, Florian; Colombo, Andrea; Mai, Antonello; Amici, Raffaella; Bigogno, Chiara; Boggio, Roberto; Cappa, Anna; Carrara, Simone; Cataudella, Tiziana; Fusar, Fulvia; Gianti, Eleonora; Di Ventimiglia, Samuele Joppolo; Moroni, Maurizio; Munari, Davide; Pain, Gilles; Regalia, Nickolas; Sartori, Luca; Vultaggio, Stefania; Dondio, Giulio; Gagliardi, Stefania; Minucci, Saverio; Mercurio, Ciro; Varasi, Mario Journal of Medicinal Chemistry, 2010 , vol. 53, # 2 p. 822 - 839

Safety Information

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GHS Pictogram :
GHS No : GHS07
Signal Word : Warning
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : H302-H315-H319-H332-H335
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P330-P362+P364-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   30.27
  • LogP   1.30568
  • H_Acceptors   3
  • H_Donors   0
  • Rotatable_Bonds   2

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