Cas no 1018614-49-7 (3-(3-aminopropyl)-N,N-dimethylaniline)

3-(3-Aminopropyl)-N,N-dimethylaniline is a versatile aromatic amine compound featuring both a tertiary dimethylamino group and a primary aminopropyl side chain. This bifunctional structure makes it a valuable intermediate in organic synthesis, particularly for the preparation of dyes, pharmaceuticals, and specialty chemicals. The compound's reactivity allows for further functionalization, enabling applications in coupling reactions, polymer chemistry, and as a building block for advanced materials. Its stability under standard conditions and compatibility with a range of solvents enhance its utility in laboratory and industrial settings. The presence of both aromatic and aliphatic amine groups provides distinct electronic and steric properties, facilitating tailored modifications for specific synthetic pathways.
3-(3-aminopropyl)-N,N-dimethylaniline structure
1018614-49-7 structure
Product Name:3-(3-aminopropyl)-N,N-dimethylaniline
CAS No:1018614-49-7
MF:C11H18N2
MW:178.274022579193
CID:6401879
PubChem ID:28806985
Update Time:2025-10-24

3-(3-aminopropyl)-N,N-dimethylaniline Chemical and Physical Properties

Names and Identifiers

    • 3-(3-aminopropyl)-N,N-dimethylaniline
    • EN300-1836190
    • 1018614-49-7
    • AKOS006305504
    • Inchi: 1S/C11H18N2/c1-13(2)11-7-3-5-10(9-11)6-4-8-12/h3,5,7,9H,4,6,8,12H2,1-2H3
    • InChI Key: BUUFXIAGEXDYSX-UHFFFAOYSA-N
    • SMILES: N(C)(C)C1=CC=CC(=C1)CCCN

Computed Properties

  • Exact Mass: 178.146998583g/mol
  • Monoisotopic Mass: 178.146998583g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 13
  • Rotatable Bond Count: 4
  • Complexity: 134
  • 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
  • XLogP3: 2.1
  • Topological Polar Surface Area: 29.3?2

3-(3-aminopropyl)-N,N-dimethylaniline Pricemore >>

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3-(3-aminopropyl)-N,N-dimethylaniline Related Literature

Additional information on 3-(3-aminopropyl)-N,N-dimethylaniline

Comprehensive Overview of 3-(3-Aminopropyl)-N,N-dimethylaniline (CAS No. 1018614-49-7)

3-(3-Aminopropyl)-N,N-dimethylaniline (CAS No. 1018614-49-7) is a versatile organic compound widely utilized in pharmaceutical research, material science, and specialty chemical synthesis. Its unique structural features, including an aromatic amine and a tertiary amine group, make it a valuable intermediate for developing advanced materials and bioactive molecules. With growing interest in drug discovery and functional materials, this compound has garnered attention for its potential applications in fluorescence probes, polymer modifiers, and catalysts.

The compound’s chemical structure combines a benzene ring substituted with a dimethylamino group and a propylamine side chain, offering both lipophilicity and reactivity. Researchers often explore its derivatives for bioimaging agents due to their tunable optical properties. Recent studies highlight its role in designing pH-sensitive dyes and molecular sensors, aligning with trends in precision diagnostics and smart materials. As sustainability gains traction, its use in green chemistry processes—such as solvent-free reactions—has also been investigated.

In the pharmaceutical sector, 3-(3-Aminopropyl)-N,N-dimethylaniline serves as a precursor for small-molecule inhibitors targeting enzymes like kinases. Its structure-activity relationship (SAR) is critical for optimizing drug candidates, particularly in oncology and neurology. Industry reports suggest rising demand for such intermediates, driven by personalized medicine and high-throughput screening technologies. Additionally, its compatibility with click chemistry protocols enhances its utility in bioconjugation applications.

From a commercial perspective, suppliers emphasize high-purity grades (>98%) to meet stringent GMP standards. Analytical techniques like HPLC and NMR ensure quality control, addressing concerns about batch-to-batch consistency. Environmental regulations further influence its handling; for instance, its biodegradability profile is often assessed under OECD 301 guidelines. These factors position it as a sustainable alternative to traditional aromatic amines.

Emerging applications include its integration into conductive polymers for flexible electronics—a hotspot in IoT device development. Researchers also explore its role in metal-organic frameworks (MOFs) for gas storage, leveraging its nitrogen-rich backbone. Such innovations resonate with global priorities like carbon capture and renewable energy storage. For synthetic chemists, its straightforward functionalization pathways enable rapid prototyping of custom ligands and chelating agents.

Safety data sheets (SDS) recommend standard precautions for laboratory handling, including ventilation and PPE. While not classified as hazardous under major systems like GHS, its storage stability in inert atmospheres is advised to prevent oxidation. Regulatory filings often cite its compliance with REACH and FDA guidelines for research use, bolstering its adoption in regulated industries.

In summary, 3-(3-Aminopropyl)-N,N-dimethylaniline (CAS No. 1018614-49-7) bridges multiple scientific disciplines, from medicinal chemistry to nanotechnology. Its adaptability to cutting-edge trends—such as AI-driven molecular design and circular economy principles—ensures enduring relevance. Future directions may include machine learning-assisted optimization of its synthetic routes or exploration in biohybrid systems, reflecting the dynamic interplay between chemistry and technology.

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