Cas no 887353-92-6 (N-(5-Carboxypentyl)-3-hydroxy-N-methylaniline)

N-(5-Carboxypentyl)-3-hydroxy-N-methylaniline is a specialized organic compound featuring both a carboxylic acid and a phenolic hydroxyl group, making it a versatile intermediate in synthetic chemistry. Its structure allows for further functionalization, particularly in the development of pharmaceuticals, dyes, and advanced materials. The presence of the carboxypentyl chain enhances solubility in polar solvents, while the N-methylaniline moiety contributes to its reactivity in electrophilic substitution reactions. This compound is particularly useful in coupling reactions and as a building block for more complex molecules. Its balanced hydrophilicity and structural flexibility make it a valuable reagent in research and industrial applications requiring precise molecular modifications.
N-(5-Carboxypentyl)-3-hydroxy-N-methylaniline structure
887353-92-6 structure
Product Name:N-(5-Carboxypentyl)-3-hydroxy-N-methylaniline
CAS No:887353-92-6
MF:C13H19NO3
MW:237.294863939285
CID:712985
PubChem ID:29975570
Update Time:2025-08-05

N-(5-Carboxypentyl)-3-hydroxy-N-methylaniline Chemical and Physical Properties

Names and Identifiers

    • Hexanoic acid,6-[(3-hydroxyphenyl)methylamino]-
    • N-(5-Carboxypentyl)-3-hydroxy-N-methylaniline
    • 6-(3-hydroxy-N-methylanilino)hexanoic acid
    • (3-(Hydroxy-N-(methyl)-N-(5-carboxypentyl)aniline
    • 6-[(3-Hydroxyphenyl)methylamino]hexanoic Acid
    • Hexanoic acid,6-[(3-hydroxyphenyl)methylamino]
    • 887353-92-6
    • SCHEMBL20390461
    • 6-((3-Hydroxyphenyl)(methyl)amino)hexanoic acid
    • 6-[(3-HYDROXYPHENYL)(METHYL)AMINO]HEXANOIC ACID
    • FT-0664354
    • DTXSID40652507
    • DB-265811
    • Inchi: 1S/C13H19NO3/c1-14(9-4-2-3-8-13(16)17)11-6-5-7-12(15)10-11/h5-7,10,15H,2-4,8-9H2,1H3,(H,16,17)
    • InChI Key: DMBQUFNFVJPLMV-UHFFFAOYSA-N
    • SMILES: OC(CCCCCN(C)C1C=CC=C(C=1)O)=O

Computed Properties

  • Exact Mass: 237.13600
  • Monoisotopic Mass: 237.13649347g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 17
  • Rotatable Bond Count: 7
  • Complexity: 233
  • Covalently-Bonded Unit Count: 1
  • 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: 3
  • XLogP3: 2.3
  • Topological Polar Surface Area: 60.8?2

Experimental Properties

  • PSA: 60.77000
  • LogP: 2.47340

N-(5-Carboxypentyl)-3-hydroxy-N-methylaniline Pricemore >>

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Additional information on N-(5-Carboxypentyl)-3-hydroxy-N-methylaniline

N-(5-Carboxypentyl)-3-hydroxy-N-methylaniline: A Comprehensive Overview

N-(5-Carboxypentyl)-3-hydroxy-N-methylaniline (CAS No. 887353-92-6) is a versatile organic compound with a unique chemical structure that has garnered significant attention in the fields of chemistry, biology, and pharmaceutical research. This compound, characterized by its carboxylic acid and hydroxyl functional groups, exhibits a range of properties that make it a valuable candidate for various applications, including drug development and materials science.

The molecular formula of N-(5-Carboxypentyl)-3-hydroxy-N-methylaniline is C11H16NO3, and its molecular weight is approximately 204.25 g/mol. The compound's structure consists of an aniline moiety substituted with a 5-carboxypentyl group and a hydroxyl group at the 3-position. These functional groups contribute to the compound's reactivity and solubility, making it suitable for a variety of chemical reactions and biological assays.

In recent years, significant advancements in the synthesis and characterization of N-(5-Carboxypentyl)-3-hydroxy-N-methylaniline have been reported in the scientific literature. Researchers have developed efficient synthetic routes to produce this compound with high yields and purity, which is crucial for its application in pharmaceutical research. One notable method involves the condensation of 3-hydroxyaniline with 5-bromovaleric acid followed by methylation, providing a straightforward and scalable approach to its synthesis.

The biological activity of N-(5-Carboxypentyl)-3-hydroxy-N-methylaniline has been extensively studied, particularly in the context of its potential as a therapeutic agent. Studies have shown that this compound exhibits anti-inflammatory properties, making it a promising candidate for the treatment of inflammatory diseases. In vitro experiments have demonstrated that it can effectively inhibit the production of pro-inflammatory cytokines such as TNF-α and IL-6, which are key mediators of inflammation.

Moreover, N-(5-Carboxypentyl)-3-hydroxy-N-methylaniline has been investigated for its antioxidant properties. Antioxidants play a crucial role in neutralizing free radicals and preventing oxidative stress, which is implicated in various diseases such as cancer, neurodegenerative disorders, and cardiovascular diseases. Research has indicated that this compound can scavenge free radicals and protect cells from oxidative damage, suggesting its potential as a therapeutic agent in these conditions.

In addition to its biological activities, N-(5-Carboxypentyl)-3-hydroxy-N-methylaniline has also been explored for its use in materials science. The presence of both carboxylic acid and hydroxyl groups makes it an excellent candidate for the synthesis of functional polymers and coatings. These materials can be used in various applications, including drug delivery systems, sensors, and biomedical devices.

The safety profile of N-(5-Carboxypentyl)-3-hydroxy-N-methylaniline is another important aspect that has been thoroughly evaluated. Toxicological studies have shown that this compound exhibits low toxicity at therapeutic concentrations, making it suitable for use in pharmaceutical formulations. However, as with any chemical compound, proper handling and storage precautions should be followed to ensure safety.

In conclusion, N-(5-Carboxypentyl)-3-hydroxy-N-methylaniline (CAS No. 887353-92-6) is a multifaceted compound with a wide range of potential applications in chemistry, biology, and pharmaceutical research. Its unique chemical structure and biological activities make it an attractive candidate for further investigation and development. As research continues to advance, it is likely that new applications and uses for this compound will be discovered, further highlighting its importance in the scientific community.

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