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CS-W001157 4
Total: USD 88.00

1-Methyl-4-(3-nitrophenyl)piperazine

  • CAS No. 148546-97-8

  • Cat. No. CS-0204933
  • Molecule weight221.26
  • Purity≥98%
  • MDL No.MFCD08435858

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

1-Methyl-4-(3-nitrophenyl)piperazine|CS-0204933

Structure of 148546-97-8

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General Information

  • CAS No. 148546-97-8
  • Cat. No. CS-0204933
  • Purity ≥98%
  • MDL No. MFCD08435858
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₁H₁₅N₃O₂
  • Molecular Weight 221.26
  • Synonym(s) 1-(4-methyl-piperazin-1-yl)-3-nitrobenzene
  • SMILES [O-][N+](C1=CC=CC(N2CCN(CC2)C)=C1)=O

Synthesis

  • Route1

    References

    • THE UNIVERSITY OF TENNESSEE RESEARCH FOUNDATION; COLORADO STATE UNIVERSITY RESEARCH FOUNDATION Patent: WO2005/7625 A2, 2005 ; Location in patent: Page 62 ;
  • Route2
    • null|null
      50-00-0
    • 1-(3-Nitrophenyl)piperazine|CS-W019388
      54054-85-2
    • ~96%
    • In-stock
      1-Methyl-4-(3-nitrophenyl)piperazine|CS-0204933
      148546-97-8

    References

    • Romanelli; Manetti; Scapecchi; Borea; Dei; Bartolini; Ghelardini; Gualtieri; Guandalini; Varani Journal of Medicinal Chemistry, 2001 , vol. 44, # 23 p. 3946 - 3955
  • Route3
    • In-stock
      N-Methylpiperazine|CS-0009394
      109-01-3
    • null|null
      585-79-5
    • ~35%
    • In-stock
      1-Methyl-4-(3-nitrophenyl)piperazine|CS-0204933
      148546-97-8

    References

    • AURIGENE DISCOVERY TECHNOLOGIES LIMITED; SENGUPTA, Saumitra; RAJAGOPALAN, Srinivasan; BELAVAGI, Ningaraddi; RAMACHANDRA, Muralidhara Patent: WO2012/59932 A1, 2012 ; Location in patent: Page/Page column 126-127 ; WO 2012/059932 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-H319-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   49.62
  • LogP   1.3466
  • H_Acceptors   4
  • H_Donors   0
  • Rotatable_Bonds   2

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