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CS-W001157 4
Total: USD 88.00

1-Methyl-4-(4-nitrobenzyl)piperazine

  • CAS No. 70261-81-3

  • Cat. No. CS-W002721
  • Purity≥98%
  • MDL No.MFCD00976866

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

1-Methyl-4-(4-nitrobenzyl)piperazine|CS-W002721

Structure of 70261-81-3

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General Information

  • CAS No. 70261-81-3
  • Cat. No. CS-W002721
  • Purity ≥98%
  • MDL No. MFCD00976866
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₂H₁₇N₃O₂
  • Molecular Weight 235.28
  • Synonym(s) 1-methyl-4-[(4-nitrophenyl)methyl]piperazine
  • SMILES O=[N+](C1=CC=C(CN2CCN(C)CC2)C=C1)[O-]

Synthesis

  • Route1

    References

    • Koroleva; Gusak; Ermolinskaya; Ignatovich Russian Journal of Organic Chemistry, 2013 , vol. 49, # 4 p. 563 - 567 Zh. Org. Khim., 2013 , vol. 49, # 4 p. 580 - 584
  • Route2

    References

    • Biagi; Dell'Omodarme; Ferretti; Giorgi; Livi; Scartoni Farmaco, 1992 , vol. 47, # 3 p. 335 - 344
  • Route3

    References

    • Mai, Antonello; Sbardella, Gianluca; Artico, Marino; Massa, Silvio; Lampis, Giorgio; Deidda, Delia; Pompeit, Raffaello Medicinal Chemistry Research, 1999 , vol. 9, # 3 p. 149 - 161

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

Quality Control

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Computational Chemistry Data

  • TPSA   49.62
  • LogP   1.3422
  • H_Acceptors   4
  • H_Donors   0
  • Rotatable_Bonds   3

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