Cas no 171861-48-6 (3-Isoquinolinamine,N-methyl-(9CI))

3-Isoquinolinamine, N-methyl-(9CI) is a heterocyclic organic compound featuring an isoquinoline core substituted with an amino group at the 3-position and a methyl group on the nitrogen. This structure imparts unique reactivity, making it valuable in pharmaceutical and agrochemical research as a versatile intermediate. Its electron-rich aromatic system and functional groups enable participation in diverse synthetic transformations, including nucleophilic substitutions and metal-catalyzed couplings. The compound’s stability under standard conditions and well-defined purity profile ensure reproducibility in complex synthesis pathways. Researchers leverage its scaffold for developing bioactive molecules, particularly in kinase inhibition and antimicrobial applications, due to its structural similarity to pharmacologically active quinoline derivatives.
3-Isoquinolinamine,N-methyl-(9CI) structure
171861-48-6 structure
Product Name:3-Isoquinolinamine,N-methyl-(9CI)
CAS No:171861-48-6
MF:C10H10N2
MW:158.199801921844
CID:905574
PubChem ID:24976745
Update Time:2025-11-03

3-Isoquinolinamine,N-methyl-(9CI) Chemical and Physical Properties

Names and Identifiers

    • 3-Isoquinolinamine,N-methyl-(9CI)
    • ISOQUINOLINE-3-METHYLAMINE
    • N-methylisoquinolin-3-amine
    • N-methyl-3-isoquinolinamine
    • isoquinolin-3-yl-methyl-amine
    • 171861-48-6
    • DB-144302
    • EN300-7831148
    • SCHEMBL13804176
    • MDL: MFCD16036416
    • Inchi: 1S/C10H10N2/c1-11-10-6-8-4-2-3-5-9(8)7-12-10/h2-7H,1H3,(H,11,12)
    • InChI Key: CTCMHNLYKFKJDQ-UHFFFAOYSA-N
    • SMILES: N1C=C2C=CC=CC2=CC=1NC

Computed Properties

  • Exact Mass: 158.084398327g/mol
  • Monoisotopic Mass: 158.084398327g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 12
  • Rotatable Bond Count: 1
  • Complexity: 147
  • 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: 2.4
  • Topological Polar Surface Area: 24.9?2

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Additional information on 3-Isoquinolinamine,N-methyl-(9CI)

Comprehensive Overview of 3-Isoquinolinamine, N-methyl-(9CI) (CAS No. 171861-48-6): Properties, Applications, and Research Insights

3-Isoquinolinamine, N-methyl-(9CI) (CAS No. 171861-48-6) is a specialized organic compound belonging to the isoquinoline family, a class of heterocyclic aromatic compounds with significant relevance in pharmaceutical and material science research. This compound, characterized by its methyl-substituted amine group at the 3-position of the isoquinoline backbone, has garnered attention for its potential applications in drug discovery, agrochemical development, and advanced material synthesis. Its molecular structure, C10H10N2, offers a versatile scaffold for further chemical modifications, making it a valuable intermediate in synthetic chemistry.

In recent years, the demand for isoquinoline derivatives like N-methyl-3-isoquinolinamine has surged due to their role in designing bioactive molecules. Researchers are particularly interested in its potential as a pharmacophore in central nervous system (CNS) therapeutics, given the structural similarities to other neurologically active compounds. The compound’s CAS number 171861-48-6 serves as a critical identifier in chemical databases, ensuring precise tracking in global supply chains and regulatory documentation.

The synthesis of 3-Isoquinolinamine, N-methyl-(9CI) typically involves multi-step organic reactions, including cyclization and methylation processes. Advanced techniques such as microwave-assisted synthesis and catalytic hydrogenation have been explored to improve yield and purity. Analytical methods like HPLC and NMR spectroscopy are routinely employed to verify its structural integrity, with purity grades often exceeding 98% for research applications.

From an industrial perspective, this compound aligns with the growing trend of green chemistry and sustainable synthesis. Companies are increasingly adopting solvent-free reactions and biocatalysts to produce such intermediates, addressing environmental concerns while maintaining cost efficiency. Its stability under standard storage conditions (room temperature, inert atmosphere) further enhances its practicality for large-scale use.

Emerging studies highlight the role of CAS 171861-48-6 in developing fluorescent probes for biochemical assays, leveraging its inherent photophysical properties. Additionally, computational chemistry models predict its utility in metal-organic frameworks (MOFs), a hot topic in materials science for gas storage and catalysis applications. These interdisciplinary connections make it a compound of interest in both academic and industrial R&D sectors.

For researchers sourcing N-methyl-3-isoquinolinamine, key considerations include supplier reliability, batch-to-batch consistency, and compliance with REACH or FDA guidelines. FAQs in scientific forums often address its solubility profile (e.g., in DMSO or ethanol) and compatibility with common coupling reagents like EDCI or HOBt. Such practical insights are critical for experimental success.

In summary, 3-Isoquinolinamine, N-methyl-(9CI) (CAS No. 171861-48-6) represents a dynamic intersection of chemistry and innovation. Its adaptability across multiple domains—from medicinal chemistry to smart materials—positions it as a compound worthy of continued exploration. As synthetic methodologies evolve and applications expand, this isoquinoline derivative is poised to play a pivotal role in addressing contemporary scientific challenges.

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