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CS-W001157 4
Total: USD 88.00

4-((Dimethylamino)methyl)benzoic acid

  • CAS No. 18364-71-1

  • Cat. No. CS-0199346
  • Purity≥97%
  • MDL No.None

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

4-((Dimethylamino)methyl)benzoic acid|CS-0199346

Structure of 18364-71-1

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General Information

  • CAS No. 18364-71-1
  • Cat. No. CS-0199346
  • Purity ≥97%
  • MDL No. None
  • Storage 4°C, protect from light
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₀H₁₃NO₂
  • Molecular Weight 179.22
  • Synonym(s) 4-[(Dimethylamino)methyl]benzoic acid
  • SMILES CN(C)CC1=CC=C(C=C1)C(=O)O

Description

4-((Dimethylamino)methyl)benzoic acid features a para-substituted benzene ring bearing a carboxylic acid and a dimethylaminomethyl group, combining strong electron-donating character with enhanced solubility. This dual functionality enables efficient coupling in peptide synthesis and facilitates conjugation strategies requiring both nucleophilic and electrophilic handles. The molecule exhibits robust stability under standard bench conditions and integrates seamlessly into bioconjugation workflows.

Application

4-((Dimethylamino)methyl)benzoic acid serves as a versatile building block for pharmaceutical and agrochemical synthesis, enabling efficient access to bioactive heterocycles via standard functional group transformations. The ortho-directed amidation and carboxylic acid reactivity facilitate conjugation with amines, peptides, and nucleophiles under mild conditions. Bench-stable and amenable to purification by recrystallization or chromatography, it functions effectively in solid-phase and solution-phase workflows.

Safety Information

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GHS Pictogram :
GHS No : GHS05
Signal Word : Danger
UN#: 3261
Class : 8
Packing Group : Ⅲ
Hazard Statements : H318
Precautionary Statements : P260-P264-P280-P301+P330+P331-P303+P361+P353-P304+P340-P305+P351+P338-P363-P405-P501

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Computational Chemistry Data

  • TPSA   40.54
  • LogP   1.4464
  • H_Acceptors   2
  • H_Donors   1
  • Rotatable_Bonds   3

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