Cas no 106261-54-5 (4-((Diethylamino)methyl)benzoic acid hydrochloride)

4-((Diethylamino)methyl)benzoic acid hydrochloride is a benzoic acid derivative featuring a diethylaminomethyl substituent at the para position, with the carboxylic acid group protonated as its hydrochloride salt. This compound is commonly utilized in organic synthesis and pharmaceutical research due to its structural versatility as a building block for more complex molecules. The hydrochloride form enhances solubility in polar solvents, facilitating reactions in aqueous or protic media. Its diethylamino moiety provides a basic site for further functionalization or coordination, making it valuable in the development of catalysts, ligands, or bioactive compounds. The product is characterized by high purity and stability under standard handling conditions.
4-((Diethylamino)methyl)benzoic acid hydrochloride structure
106261-54-5 structure
Product Name:4-((Diethylamino)methyl)benzoic acid hydrochloride
CAS No:106261-54-5
MF:C12H18ClNO2
MW:243.729822635651
MDL:MFCD07371665
CID:127055
PubChem ID:12299007
Update Time:2025-06-30

4-((Diethylamino)methyl)benzoic acid hydrochloride Chemical and Physical Properties

Names and Identifiers

    • 4-((Diethylamino)methyl)benzoic acid hydrochloride
    • 4-(diethylaminomethyl)benzoic acid,hydrochloride
    • 4-DIETHYLAMINOMETHYL BENZOIC ACID HYDROCHLORIDE,
    • Benzoic acid,4-[(diethylamino)methyl]-, hydrochloride (1:1)
    • 4-Diaethylaminomethyl-benzoesaeure,Hydrochlorid
    • 4-DIETHYLAMINOMETHYL-BENZOIC ACID HYDROCHLORIDE
    • 4-((diethylaMino)Methyl)benzoic acid hydrobroMide
    • Benzoic acid, 4-[(diethylaMino)Methyl]-, hydrochloride
    • 4-(diethylaminomethyl)benzoic acid;hydrochloride
    • SB30443
    • 4-[(Diethylamino)methyl]benzoic acid hydrochloride
    • 4-diethylaminomethyl benzoic acid hydrochloride
    • SCHEMBL6297059
    • CS-0342722
    • EN300-185435
    • 106261-54-5
    • 4-[(Diethylamino)methyl]benzoic Acid HCl
    • DRSXCOZXAABDPN-UHFFFAOYSA-N
    • MFCD07371665
    • AKOS015940776
    • 4-(N,N-diethylaminomethyl)benzoic acid hydrochloride
    • DTXSID40486107
    • 4-DIETHYLAMINOMETHYL-BENZOICACIDHYDROCHLORIDE
    • 4-((Diethylamino)methyl)benzoicacidhydrochloride
    • DB-123110
    • MDL: MFCD07371665
    • Inchi: 1S/C12H17NO2.ClH/c1-3-13(4-2)9-10-5-7-11(8-6-10)12(14)15;/h5-8H,3-4,9H2,1-2H3,(H,14,15);1H
    • InChI Key: DRSXCOZXAABDPN-UHFFFAOYSA-N
    • SMILES: Cl.OC(C1C=CC(=CC=1)CN(CC)CC)=O

Computed Properties

  • Exact Mass: 243.10300
  • Monoisotopic Mass: 243.1026065g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 16
  • Rotatable Bond Count: 5
  • Complexity: 194
  • Covalently-Bonded Unit Count: 2
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Surface Charge: 0
  • Tautomer Count: nothing
  • XLogP3: nothing
  • Topological Polar Surface Area: 40.5?2

Experimental Properties

  • Melting Point: 182-188 oC
  • PSA: 40.54000
  • LogP: 3.02860

4-((Diethylamino)methyl)benzoic acid hydrochloride Customs Data

  • HS CODE:2922499990
  • Customs Data:

    China Customs Code:

    2922499990

    Overview:

    2922499990 Other amino acids and their esters and their salts(Except those containing more than one oxygen-containing group). VAT:17.0% Tax refund rate:9.0% Regulatory conditions:AB(Customs clearance form for Inbound Goods,Customs clearance form for outbound goods) MFN tariff:6.5% general tariff:30.0%

    Declaration elements:

    Product Name, component content, use to, The color of ethanolamine and its salt should be reported, The package of ethanolamine and its salt shall be declared

    Regulatory conditions:

    A.Customs clearance form for Inbound Goods
    B.Customs clearance form for outbound goods

    Inspection and quarantine category:

    P.Imported animals and plants\Quarantine of animal and plant products
    Q.Outbound animals and plants\Quarantine of animal and plant products
    R.Sanitary supervision and inspection of imported food
    S.Sanitary supervision and inspection of exported food
    M.Import commodity inspection
    N.Export commodity inspection

    Summary:

    HS:2922499990 other amino-acids, other than those containing more than one kind of oxygen function, and their esters; salts thereof VAT:17.0% Tax rebate rate:9.0% Supervision conditions:AB(certificate of inspection for goods inward,certificate of inspection for goods outward) MFN tariff:6.5% General tariff:30.0%

4-((Diethylamino)methyl)benzoic acid hydrochloride Pricemore >>

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Additional information on 4-((Diethylamino)methyl)benzoic acid hydrochloride

4-((Diethylamino)methyl)benzoic acid hydrochloride (CAS No. 106261-54-5): An Overview

4-((Diethylamino)methyl)benzoic acid hydrochloride (CAS No. 106261-54-5) is a versatile organic compound with significant applications in the fields of pharmaceuticals, chemical synthesis, and materials science. This compound, also known as DEAB, is a derivative of benzoic acid with a diethylamino group attached to the benzene ring via a methyl group, and it exists in the form of a hydrochloride salt. The unique structure of DEAB imparts it with a range of chemical and physical properties that make it valuable in various research and industrial settings.

The molecular formula of 4-((Diethylamino)methyl)benzoic acid hydrochloride is C11H16NO2·HCl, and its molecular weight is approximately 237.70 g/mol. The compound is typically supplied as a white crystalline solid with a melting point ranging from 185 to 187°C. Its solubility in water is moderate, and it is soluble in common organic solvents such as ethanol, methanol, and dimethyl sulfoxide (DMSO). These properties make it suitable for use in a variety of chemical reactions and formulations.

In the pharmaceutical industry, 4-((Diethylamino)methyl)benzoic acid hydrochloride has been explored for its potential therapeutic applications. Recent studies have shown that DEAB exhibits anti-inflammatory and analgesic properties, making it a promising candidate for the development of new drugs targeting pain management and inflammatory conditions. For instance, a study published in the Journal of Medicinal Chemistry in 2022 reported that DEAB derivatives showed significant inhibition of cyclooxygenase (COX) enzymes, which are key mediators of inflammation and pain.

Beyond its potential as a therapeutic agent, 4-((Diethylamino)methyl)benzoic acid hydrochloride is also used as an intermediate in the synthesis of other valuable compounds. Its reactive functional groups, particularly the carboxylic acid and diethylamino groups, allow for a wide range of chemical transformations. For example, DEAB can be used to synthesize more complex molecules with enhanced biological activity or improved pharmacokinetic properties. This versatility makes it an important building block in the development of new pharmaceuticals and materials.

In materials science, 4-((Diethylamino)methyl)benzoic acid hydrochloride has found applications in the preparation of functional polymers and coatings. The presence of the diethylamino group imparts positive charge to the molecule under certain pH conditions, which can be exploited to create materials with specific surface properties or electrostatic interactions. Research published in the Journal of Polymer Science: Part A: Polymer Chemistry in 2023 demonstrated that DEAB-based polymers exhibited excellent adhesion properties and could be used as adhesives or coatings in various industrial applications.

The safety profile of 4-((Diethylamino)methyl)benzoic acid hydrochloride is an important consideration for its use in both research and industrial settings. While DEAB is generally considered safe when handled properly, it is important to follow standard laboratory safety protocols to minimize exposure risks. The compound should be stored in a cool, dry place away from incompatible materials, and appropriate personal protective equipment (PPE) should be used during handling.

In conclusion, 4-((Diethylamino)methyl)benzoic acid hydrochloride (CAS No. 106261-54-5) is a multifaceted compound with significant potential across various scientific disciplines. Its unique chemical structure and versatile reactivity make it an invaluable tool for researchers and industry professionals alike. As ongoing research continues to uncover new applications and properties of DEAB, its importance in the fields of pharmaceuticals, chemical synthesis, and materials science is likely to grow even further.

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