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CS-W001157 4
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3-(Aminomethyl)benzoic acid hydrochloride

  • CAS No. 876-03-9

  • Cat. No. CS-W001871
  • Purity≥97%
  • MDL No.MFCD03791117

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

3-(Aminomethyl)benzoic acid hydrochloride|CS-W001871

Structure of 876-03-9

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General Information

  • CAS No. 876-03-9
  • Cat. No. CS-W001871
  • Purity ≥97%
  • MDL No. MFCD03791117
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₈H₁₀ClNO₂
  • Molecular Weight 187.62
  • Synonym(s) 3-(aminomethyl)benzoic acid,hydrochloride
  • SMILES OC(C1=CC=CC(CN)=C1)=O.Cl

Description

3-(Aminomethyl)benzoic acid hydrochloride features a para-aminomethyl group attached to a benzoic acid scaffold, delivering a dual functional handle for conjugation. This bench-stable salt form enhances solubility and handling in aqueous workflows, enabling efficient incorporation into peptide-based probes, bioconjugates, and molecular scaffolds under standard conditions.

Application

3-(Aminomethyl)benzoic acid hydrochloride serves as a versatile building block for bioactive molecule synthesis, enabling efficient incorporation of both carboxylic acid and primary amine functionalities. Its stability under standard bench conditions facilitates straightforward purification and compatibility with common coupling reactions. Functions effectively in peptide extensions, heterocycle construction, and scaffold diversification within medicinal chemistry workflows.

Synthesis

  • Route1

    References

    • Jackson, Sharon; DeGrado, William; Dwivedi, Anil; Parthasarathy, Anju; Higley, Anne; Krywko, James; Rockwell, Arlene; Markwalder, Jay; Wells, Greg; Wexler, Ruth; Mousa, Shaker; Harlow, Richard Journal of the American Chemical Society, 1994 , vol. 116, # 8 p. 3220 - 3230
  • Route2

    References

    • US2003/109547 A1, ; US 20030109547 A1
  • Route3
    • 3-((((Benzyloxy)carbonyl)amino)methyl)benzoic acid|CS-0345388
      89760-77-0
    • ~99%
    • In-stock
      3-(Aminomethyl)benzoic acid hydrochloride|CS-W001871
      876-03-9

    References

    • Clift, Michael D.; Silverman, Richard B. Bioorganic and Medicinal Chemistry Letters, 2008 , vol. 18, # 10 p. 3122 - 3125

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   63.32
  • LogP   1.2653
  • H_Acceptors   2
  • H_Donors   2
  • Rotatable_Bonds   2

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