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CS-W001157 4
Total: USD 88.00

4-Carbamimidoylbenzoic acid hydrochloride

  • CAS No. 42823-72-3

  • Cat. No. CS-W005595
  • Purity≥98%
  • MDL No.MFCD00269643

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

4-Carbamimidoylbenzoic acid hydrochloride|CS-W005595

Structure of 42823-72-3

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General Information

  • CAS No. 42823-72-3
  • Cat. No. CS-W005595
  • Purity ≥98%
  • MDL No. MFCD00269643
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₈H₉ClN₂O₂
  • Molecular Weight 200.62
  • Synonym(s) 4-carbamimidoylbenzoic Acid
  • SMILES O=C(O)C1=CC=C(C(N)=N)C=C1.[H]Cl

Description

4-Carbamimidoylbenzoic acid hydrochloride features a para-substituted benzoic acid scaffold with a carbamimidoyl group enabling strong hydrogen bonding and enhanced solubility. This protonated derivative delivers improved handling stability and facilitates direct incorporation into peptide mimetics, bioactive scaffolds, and medicinal chemistry campaigns requiring polar, charged functionalities under physiological conditions.

Application

4-Carbamimidoylbenzoic acid hydrochloride serves as a versatile building block in medicinal chemistry, enabling direct access to amidine-functionalized aromatic scaffolds. Its carboxylic acid and protonated guanidine groups offer complementary reactivity for peptide coupling, salt formation, and heterocycle construction. The hydrochloride salt enhances solubility and stability in aqueous and polar organic media, facilitating purification and handling in standard synthetic workflows.

Synthesis

  • Route1
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      54050-86-1
    • ~%
    • In-stock
      4-Carbamimidoylbenzoic acid hydrochloride|CS-W005595
      42823-72-3

    References

    • Sumitomo Pharmaceuticals Company, Limited Patent: US5707994 A1, 1998 ;
  • Route2
    • 4-carbamimidoylbenzamide hydrochloride|CS-0067782
      59855-11-7
    • ~%
    • In-stock
      4-Carbamimidoylbenzoic acid hydrochloride|CS-W005595
      42823-72-3

    References

    • Nippon Steel Corporation; Nippon Steel Chemical Co., Ltd. Patent: US5866592 A1, 1999 ;

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   87.17
  • LogP   1.09067
  • H_Acceptors   2
  • H_Donors   3
  • Rotatable_Bonds   2

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