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CS-W001157 4
Total: USD 88.00

4-[(4-methylpiperazin-1-yl)methyl]benzonitrile

  • CAS No. 125743-63-7

  • Cat. No. CS-0036481
  • Purity≥97%
  • MDL No.None

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

4-[(4-methylpiperazin-1-yl)methyl]benzonitrile|CS-0036481

Structure of 125743-63-7

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General Information

  • CAS No. 125743-63-7
  • Cat. No. CS-0036481
  • Purity ≥97%
  • MDL No. None
  • Storage 4°C, protect from light
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₃H₁₇N₃
  • Molecular Weight 215.29
  • Synonym(s) 4-((4-Methylpiperazin-1-yl)methyl)benzonitrile
  • SMILES CN1CCN(CC1)CC2=CC=C(C=C2)C#N

Synthesis

  • Route1

    References

    • NATCO PHARMA LIMITED; KOMPELLA, Amala Kishan; RACHAKONDA, Sreenivas; GAMPA, Venu Gopala Krishna; ADIBHATLA, Kali Satya Bhujanga Rao; NANNAPANENI, Venkaiah Chowdary Patent: WO2013/35102 A1, 2013 ; Location in patent: Page/Page column 20 ;
  • Route2
    • In-stock
      N-Methylpiperazine|CS-0009394
      109-01-3
    • 4-[(Diethylamino)methyl]benzonitrile|CS-0186929
      69293-74-9
    • ~66%
    • In-stock
      4-[(4-methylpiperazin-1-yl)methyl]benzonitrile|CS-0036481
      125743-63-7

    References

    • SMITHKLINE BEECHAM CORPORATION Patent: WO2004/9602 A1, 2004 ; Location in patent: Page 67-68 ; WO 2004/009602 A1
  • Route3

    References

    • Liu, Haiyan; Xia, Wenpin; Luo, Yu; Lu, Wei Monatshefte fur Chemie, 2010 , vol. 141, # 8 p. 907 - 911

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS05
Signal Word : Danger
UN#: 1759
Class : 8
Packing Group : Ⅲ
Hazard Statements : H302-H312-H314-H332
Precautionary Statements : P260-P261-P264-P270-P271-P280-P301+P330+P331-P302+P352-P304+P340-P330-P362+P364-P363-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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