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CS-W001157 4
Total: USD 88.00

3-((4-Methylpiperazin-1-yl)methyl)-5-(trifluoromethyl)aniline

  • CAS No. 853296-94-3

  • Cat. No. CS-0488210
  • Purity≥98%
  • MDL No.None

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

3-((4-Methylpiperazin-1-yl)methyl)-5-(trifluoromethyl)aniline|CS-0488210

Structure of 853296-94-3

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General Information

  • CAS No. 853296-94-3
  • Cat. No. CS-0488210
  • Purity ≥98%
  • MDL No. None
  • Storage 4°C, protect from light
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₃H₁₈F₃N₃
  • Molecular Weight 273.30
  • Synonym(s) 3-[(4-Methyl-1-piperazinyl)methyl]-5-(trifluoromethyl)benzenamine
  • SMILES CN1CCN(CC1)CC2=CC(=CC(N)=C2)C(F)(F)F

Synthesis

  • Route1
    • null|null
      853296-96-5
    • ~51%
    • 3-((4-Methylpiperazin-1-yl)methyl)-5-(trifluoromethyl)aniline|CS-0488210
      853296-94-3

    References

    • Oguro, Yuya; Miyamoto, Naoki; Takagi, Terufumi; Okada, Kengo; Awazu, Yoshiko; Miki, Hiroshi; Hori, Akira; Kamiyama, Keiji; Imamura, Shinichi Bioorganic and Medicinal Chemistry, 2010 , vol. 18, # 20 p. 7150 - 7163
  • Route2
    • null|null
      853296-95-4
    • ~%
    • 3-((4-Methylpiperazin-1-yl)methyl)-5-(trifluoromethyl)aniline|CS-0488210
      853296-94-3

    References

    • AMGEN INC. Patent: WO2005/113494 A2, 2005 ; Location in patent: Page/Page column 107 ; WO 2005/113494 A2
  • Route3
    • null|null
      632353-50-5
    • ~%
    • 3-((4-Methylpiperazin-1-yl)methyl)-5-(trifluoromethyl)aniline|CS-0488210
      853296-94-3

    References

    • ASTRAZENECA AB; ASTRAZENECA UK LIMITED Patent: WO2007/119055 A1, 2007 ; Location in patent: Page/Page column 37 ; WO 2007/119055 A1

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-H320-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   32.5
  • LogP   2.035
  • H_Acceptors   3
  • H_Donors   1
  • Rotatable_Bonds   2

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