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CS-W001157 4
Total: USD 88.00

2-(4-Methylpiperazin-1-yl)-5-nitrobenzaldehyde

  • CAS No. 30742-63-3

  • Cat. No. CS-0323689
  • Purity≥98%
  • MDL No.None

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

2-(4-Methylpiperazin-1-yl)-5-nitrobenzaldehyde|CS-0323689

Structure of 30742-63-3

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General Information

  • CAS No. 30742-63-3
  • Cat. No. CS-0323689
  • Purity ≥98%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₂H₁₅N₃O₃
  • Molecular Weight 249.27
  • Synonym(s) 2-(4-Methylpiperazino)-5-nitrobenzenecarbaldehyde
  • SMILES CN1CCN(CC1)C2=CC=C(C=C2C=O)[N+](=O)[O-]

Synthesis

  • Route1

    References

    • William, Anthony D.; Lee, Angeline C.-H.; Blanchard, Stephanie; Poulsen, Anders; Teo, Ee Ling; Nagaraj, Harish; Tan, Evelyn; Chen, Dizhong; Williams, Meredith; Sun, Eric T.; Goh, Kee Chuan; Ong, Wai Chung; Goh, Siok Kun; Hart, Stefan; Jayaraman, Ramesh; Pasha, Mohammed Khalid; Ethirajulu, Kantharaj; Wood, Jeanette M.; Dymock, Brian W. Journal of Medicinal Chemistry, 2011 , vol. 54, # 13 p. 4638 - 4658

Safety Information

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GHS Pictogram :
GHS No : GHS07
Signal Word : Warning
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : H302-H312-H332
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P330-P363-P501

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Computational Chemistry Data

  • TPSA   66.69
  • LogP   1.1591
  • H_Acceptors   5
  • H_Donors   0
  • Rotatable_Bonds   3

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