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CS-W001157 4
Total: USD 88.00

N-(4-Nitrobenzoyl)-beta-alanine

  • CAS No. 59642-21-6

  • Cat. No. CS-0207269
  • Molecule weight238.20
  • Purity≥98%
  • MDL No.MFCD00009794

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

N-(4-Nitrobenzoyl)-beta-alanine|CS-0207269

Structure of 59642-21-6

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General Information

  • CAS No. 59642-21-6
  • Cat. No. CS-0207269
  • Purity ≥98%
  • MDL No. MFCD00009794
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₀H₁₀N₂O₅
  • Molecular Weight 238.20
  • Synonym(s) N-(4-Nitrobenzoyl)-β-alanine
  • SMILES C1=C(C=CC(=C1)[N+](=O)[O-])C(=O)NCCC(=O)O

Synthesis

  • Route1

    References

    • Journal of the American Chemical Society, , vol. 71, p. 3014,3015
  • Route2
    • null|null
      873073-31-5
    • ~%
    • N-(4-Nitrobenzoyl)-beta-alanine|CS-0207269
      59642-21-6

    References

    • Journal of the American Chemical Society, , vol. 127, # 49 p. 17556 - 17564
  • Route3
    • null|null
      122-04-3
    • Glycine, 99%|CS-1269057
      56-40-6
    • ~%
    • N-(4-Nitrobenzoyl)-beta-alanine|CS-0207269
      59642-21-6

    References

    • Bioorganic and Medicinal Chemistry Letters, , vol. 20, # 9 p. 2740 - 2744

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS07
Signal Word : Warning
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : H315-H319-H335
Precautionary Statements : P261-P264-P271-P280-P302+P352-P304+P340-P362+P364-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   109.54
  • LogP   0.7993
  • H_Acceptors   4
  • H_Donors   2
  • Rotatable_Bonds   5

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