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CS-W001157 4
Total: USD 88.00

4-[(methylcarbamoyl)amino]benzoic acid

  • CAS No. 54057-66-8

  • Cat. No. CS-0258433
  • Purity≥97%
  • MDL No.None

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

4-[(methylcarbamoyl)amino]benzoic acid|CS-0258433

Structure of 54057-66-8

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General Information

  • CAS No. 54057-66-8
  • Cat. No. CS-0258433
  • Purity ≥97%
  • MDL No. None
  • Storage 4°C, sealed storage, away from moisture
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₉H₁₀N₂O₃
  • Molecular Weight 194.19
  • Synonym(s) 4-(Methylcarbamoylamino)benzoic acid
  • SMILES O=C(O)C1=CC=C(NC(NC)=O)C=C1

Synthesis

  • Route1
    • 4-Aminobenzoic acid Conivaptan Impurity|CS-0213989
      150-13-0
    • null|null
      624-83-9
    • ~%
    • 4-[(methylcarbamoyl)amino]benzoic acid|CS-0258433
      54057-66-8

    References

    • Johnston,T.P. et al. J. Med. Chem., 1963 , vol. 6, p. 669 - 681
  • Route2

    References

    • Guareschi Chemische Berichte, 25 Ref. <1892>, 327
  • Route3

    References

    • Guareschi Chemische Berichte, 25 Ref. <1892>, 327, 328

Safety Information

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Hazard Statements : N/A
Precautionary Statements : N/A

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Computational Chemistry Data

  • TPSA   78.43
  • LogP   1.1361
  • H_Acceptors   2
  • H_Donors   3
  • Rotatable_Bonds   2

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