Cas no 112900-82-0 (3-methyl-4-(morpholin-4-yl)aniline)

3-methyl-4-(morpholin-4-yl)aniline structure
112900-82-0 structure
Product Name:3-methyl-4-(morpholin-4-yl)aniline
CAS No:112900-82-0
MF:C11H16N2O
MW:192.257542610168
MDL:MFCD09755865
CID:1079654
PubChem ID:10607787
Update Time:2025-09-22

3-methyl-4-(morpholin-4-yl)aniline Chemical and Physical Properties

Names and Identifiers

    • 3-Methyl-4-morpholinoaniline
    • 3-Methyl-4-(4-morpholinyl)aniline
    • 3-methyl-4-(4-morpholinyl)Benzenamine
    • 3-methyl-4-morpholin-4-ylaniline
    • 3-methyl-4-(morpholin-4-yl)aniline
    • Benzenamine, 3-methyl-4-(4-morpholinyl)-
    • 3-methyl-4-morpholino-aniline
    • KNOTXXUXSBIPQW-UHFFFAOYSA-N
    • 3-methyl-4-morpholin-4-yl-phenylamine
    • Z7400
    • ST2
    • DA-15397
    • C13661
    • DTXSID70442392
    • CS-0040847
    • SCHEMBL519230
    • 112900-82-0
    • A894510
    • EN300-132026
    • DS-3018
    • SY083520
    • AKOS000101219
    • MFCD09755865
    • MDL: MFCD09755865
    • Inchi: 1S/C11H16N2O/c1-9-8-10(12)2-3-11(9)13-4-6-14-7-5-13/h2-3,8H,4-7,12H2,1H3
    • InChI Key: KNOTXXUXSBIPQW-UHFFFAOYSA-N
    • SMILES: O1CCN(C2C=CC(=CC=2C)N)CC1

Computed Properties

  • Exact Mass: 192.126263138g/mol
  • Monoisotopic Mass: 192.126263138g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 14
  • Rotatable Bond Count: 1
  • Complexity: 180
  • 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
  • Topological Polar Surface Area: 38.5
  • XLogP3: 1.4

3-methyl-4-(morpholin-4-yl)aniline Security Information

  • HazardClass:IRRITANT

3-methyl-4-(morpholin-4-yl)aniline Pricemore >>

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Additional information on 3-methyl-4-(morpholin-4-yl)aniline

Professional Introduction to Compound with CAS No. 112900-82-0 and Product Name 3-methyl-4-(morpholin-4-yl)aniline

The compound with the CAS number 112900-82-0 and the product name 3-methyl-4-(morpholin-4-yl)aniline represents a significant advancement in the field of pharmaceutical chemistry. This compound, characterized by its unique structural and functional properties, has garnered considerable attention in recent years due to its potential applications in drug development and medicinal chemistry. The molecular structure of 3-methyl-4-(morpholin-4-yl)aniline consists of a benzene ring substituted with a methyl group at the 3-position and a morpholine moiety at the 4-position, which contributes to its distinct chemical behavior and reactivity.

In the realm of modern pharmaceutical research, the synthesis and characterization of 3-methyl-4-(morpholin-4-yl)aniline have been extensively studied to explore its pharmacological properties. The presence of the morpholine group introduces a polar, basic nitrogen center, which can interact with various biological targets, making it a valuable scaffold for designing novel therapeutic agents. Recent studies have highlighted the compound's potential in modulating enzyme activity and receptor binding, particularly in the context of central nervous system (CNS) disorders and inflammatory conditions.

One of the most compelling aspects of 3-methyl-4-(morpholin-4-yl)aniline is its versatility in medicinal chemistry. Researchers have leveraged its structural framework to develop derivatives with enhanced pharmacokinetic profiles and improved target specificity. For instance, modifications to the methyl and morpholine substituents have led to compounds with increased solubility and reduced metabolic clearance, which are critical factors for achieving therapeutic efficacy. These findings underscore the importance of 3-methyl-4-(morpholin-4-yl)aniline as a building block for next-generation drugs.

The synthesis of 3-methyl-4-(morpholin-4-yl)aniline involves multi-step organic reactions that require precise control over reaction conditions and reagent selection. Advanced synthetic methodologies, such as palladium-catalyzed cross-coupling reactions and nucleophilic aromatic substitutions, have been employed to construct the desired molecular architecture efficiently. The optimization of these synthetic routes has not only improved yield but also minimized byproduct formation, ensuring high purity standards necessary for pharmaceutical applications.

From a computational chemistry perspective, 3-methyl-4-(morpholin-4-yl)aniline has been subjected to rigorous molecular modeling studies to elucidate its interactions with biological targets. Quantum mechanical calculations have provided insights into the electronic structure and binding affinity of this compound, aiding in the rational design of analogs with improved pharmacological properties. These computational approaches are essential for predicting drug-likeness and identifying potential lead candidates before experimental validation.

The pharmacological evaluation of 3-methyl-4-(morpholin-4-yl)aniline has revealed promising activities in preclinical models. In vitro assays have demonstrated its ability to inhibit key enzymes involved in pain signaling and inflammation, such as cyclooxygenase (COX) and lipoxygenase (LOX). Additionally, animal studies have shown that this compound exhibits neuroprotective effects, suggesting its potential use in treating neurodegenerative diseases like Alzheimer's and Parkinson's. These findings highlight the therapeutic relevance of 3-methyl-4-(morpholin-4-yl)aniline and its derivatives.

Recent advancements in drug delivery systems have further expanded the applications of 3-methyl-4-(morpholin-4-yl)aniline. Nanoparticle-based formulations have been developed to enhance bioavailability and target specificity, allowing for more efficient delivery to affected tissues. These innovations are particularly relevant for treating chronic conditions where sustained drug release is crucial. The integration of nanotechnology with traditional pharmaceutical chemistry has opened new avenues for utilizing compounds like 3-methyl-4-(morpholin-4-y lanilin e) in clinical practice.

The regulatory landscape for novel pharmaceutical compounds like 3-methyl - 4 - (morpholin - 4 - yl ) anil ine is stringent but well-established. Compliance with Good Manufacturing Practices (GMP) and rigorous safety testing is essential for ensuring patient safety and efficacy. Collaborative efforts between academic researchers, industry scientists, and regulatory agencies have facilitated the translation of laboratory discoveries into market-ready drugs. This interdisciplinary approach is critical for advancing medicinal chemistry innovation.

Looking ahead, the future prospects for 3-methyl - 4 - ( morph olin - 4 - yl ) anil ine are bright, with ongoing research focused on expanding its therapeutic applications. Exploration into combination therapies involving this compound with other bioactive molecules may unlock synergistic effects that could revolutionize treatment strategies for complex diseases. Moreover, continuous improvements in synthetic methodologies will further streamline the development process, making it more cost-effective and scalable.

In conclusion, 3 - methyl - 4 - ( morph olin - 4 - yl ) anil ine (CAS No. 112900 - 82 - 0) stands as a testament to the progress made in pharmaceutical chemistry through innovative research and technological advancements. Its unique structural features make it a versatile scaffold for drug design, while its demonstrated biological activities offer promising avenues for therapeutic intervention. As scientific understanding evolves, 3 - methyl - 4 - ( morph olin - 4 - yl ) anil ine will continue to play a pivotal role in shaping the future of medicine.

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