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N-methyl-2-(4-methylpiperazin-1-yl)-N-(4-nitrophenyl)acetamide

  • CAS No. 1139453-98-7

  • Cat. No. CS-0005890
  • Molecule weight292.33
  • Purity≥97%
  • MDL No.MFCD18207135

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

N-methyl-2-(4-methylpiperazin-1-yl)-N-(4-nitrophenyl)acetamide|CS-0005890

Structure of 1139453-98-7

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General Information

  • CAS No. 1139453-98-7
  • Cat. No. CS-0005890
  • Purity ≥97%
  • MDL No. MFCD18207135
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₄H₂₀N₄O₃
  • Molecular Weight 292.33
  • Synonym(s) N-Methyl-2-(4-methyl-1-piperazinyl)-N-(4-nitrophenyl)acetamide
  • SMILES CN(C(CN1CCN(C)CC1)=O)C2=CC=C(C=C2)[N+]([O-])=O

Synthesis

  • Route1

    References

    • Roth, Gerald J.; Heckel, Armin; Colbatzky, Florian; Handschuh, Sandra; Kley, Joerg; Lehmann-Lintz, Thorsten; Lotz, Ralf; Tontsch-Grunt, Ulrike; Walter, Rainer; Hilberg, Frank Journal of Medicinal Chemistry, 2009 , vol. 52, # 14 p. 4466 - 4480
  • Route2

    References

    • BOEHRINGER INGELHEIM INTERNATIONAL GMBH Patent: WO2009/71523 A1, 2009 ; Location in patent: Page/Page column 4; 23-24 ;

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

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Computational Chemistry Data

  • TPSA   69.93
  • LogP   0.805
  • H_Acceptors   5
  • H_Donors   0
  • Rotatable_Bonds   4

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