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CS-W001157 4
Total: USD 88.00

3-[4-(4-nitrophenyl)piperazin-1-yl]-3-oxopropanenitrile

  • CAS No. 122648-74-2

  • Cat. No. CS-0220801
  • Molecule weight274.28
  • Purity≥98%
  • MDL No.None

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

3-[4-(4-nitrophenyl)piperazin-1-yl]-3-oxopropanenitrile|CS-0220801

Structure of 122648-74-2

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General Information

  • CAS No. 122648-74-2
  • Cat. No. CS-0220801
  • Purity ≥98%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₃H₁₄N₄O₃
  • Molecular Weight 274.28
  • Synonym(s) 1-(Cyanoacetyl)-4-(4-nitrophenyl)piperazine
  • SMILES N#CCC(N1CCN(C2=CC=C([N+]([O-])=O)C=C2)CC1)=O

Synthesis

  • Route1

    References

    • Katz, H. E.; Schilling, M. L. Journal of the American Chemical Society, 1989 , vol. 111, # 19 p. 7554 - 7557

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS06
Signal Word : Danger
UN#: 3439
Class : 6.1
Packing Group : Ⅲ
Hazard Statements : H301-H311-H331
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P330-P361-P403+P233-P405-P501

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Computational Chemistry Data

  • TPSA   90.48
  • LogP   1.15708
  • H_Acceptors   5
  • H_Donors   0
  • Rotatable_Bonds   3

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