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CS-W001157 4
Total: USD 88.00

3-Aminomethylbenzoic acid methyl ester hydrochloride

  • CAS No. 17841-68-8

  • Cat. No. CS-W001862
  • Purity≥98%
  • MDL No.MFCD04039173

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

3-Aminomethylbenzoic acid methyl ester hydrochloride|CS-W001862

Structure of 17841-68-8

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General Information

  • CAS No. 17841-68-8
  • Cat. No. CS-W001862
  • Purity ≥98%
  • MDL No. MFCD04039173
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₉H₁₂ClNO₂
  • Molecular Weight 201.65
  • Synonym(s) Methyl 3-(aminomethyl)benzoate Hydrochloride
  • SMILES COC(=O)c1cccc(c1)CN.Cl

Description

This methyl ester derivative features a pendant amine group for facile conjugation, enabling direct incorporation into peptide-based systems. The hydrochloride salt enhances solubility and stability under standard conditions, simplifying handling in synthetic workflows.

Application

3-Aminomethylbenzoic acid methyl ester hydrochloride serves as a versatile building block for medicinal chemistry and peptide synthesis, enabling direct introduction of a meta-aminomethylcarboxylate motif. Its hydrochloride salt enhances bench stability and solubility, facilitating straightforward purification and functional group manipulation. The molecule participates reliably in standard amide coupling, reductive amination, and electrophilic substitution reactions, supporting efficient construction of complex heterocyclic scaffolds and bioactive intermediates.

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-H315-H319-H335
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501

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Computational Chemistry Data

  • TPSA   52.32
  • LogP   1.3537
  • H_Acceptors   3
  • H_Donors   1
  • Rotatable_Bonds   2

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