Cas no 58123-56-1 (Isoquinolin-4-ylmethanamine)

Isoquinolin-4-ylmethanamine is a heterocyclic organic compound featuring an isoquinoline core substituted with an aminomethyl group at the 4-position. This structure imparts versatility in synthetic applications, particularly in pharmaceutical and agrochemical research, where it serves as a key intermediate or building block. Its rigid aromatic system and functionalized side chain enable selective modifications, facilitating the development of bioactive molecules. The compound's stability and reactivity make it suitable for coupling reactions, nucleophilic substitutions, and metal-catalyzed transformations. High purity grades are available to ensure reproducibility in research and industrial processes. Proper handling under inert conditions is recommended due to potential sensitivity to air or moisture.
Isoquinolin-4-ylmethanamine structure
Isoquinolin-4-ylmethanamine structure
Product Name:Isoquinolin-4-ylmethanamine
CAS No:58123-56-1
MF:C10H10N2
MW:158.199801921844
MDL:MFCD06738934
CID:948054
PubChem ID:12018692
Update Time:2025-06-12

Isoquinolin-4-ylmethanamine Chemical and Physical Properties

Names and Identifiers

    • Isoquinolin-4-ylmethanamine
    • (Isoquinolin-4-yl)methanamine
    • c-isoquinolin-4-yl-methylamine
    • Isoquinolin-4-yl-methylamine
    • 4-Aminomethyl-isochinolin
    • 4-ISOQUINOLINEMETHANAMINE
    • 4-isoquinolinylmethanamine
    • Isoquinoline-4-methylamine
    • [(Isoquinolin-4-yl)methyl]amine
    • 1-(Isoquinolin-4-yl)methanamine
    • A831748
    • VS-0380
    • J-521571
    • AB28215
    • 58123-56-1
    • DTXSID70475908
    • 4-isoquinolylmethanamine
    • DB-072426
    • D82919
    • AKOS013284671
    • MFCD06738934
    • CS-0155961
    • SCHEMBL4045763
    • AMY38823
    • ALBB-036572
    • MDL: MFCD06738934
    • Inchi: 1S/C10H10N2/c11-5-9-7-12-6-8-3-1-2-4-10(8)9/h1-4,6-7H,5,11H2
    • InChI Key: ZTMHEIRKNHCJEG-UHFFFAOYSA-N
    • SMILES: N1C=C2C=CC=CC2=C(C=1)CN

Computed Properties

  • Exact Mass: 158.08400
  • 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: 1
  • Topological Polar Surface Area: 38.9?2

Experimental Properties

  • Density: 1.156±0.06 g/cm3 (20 oC 760 Torr),
  • Solubility: Slightly soluble (8.1 g/l) (25 o C),
  • PSA: 38.91000
  • LogP: 2.39380

Isoquinolin-4-ylmethanamine Customs Data

  • HS CODE:2933499090
  • Customs Data:

    China Customs Code:

    2933499090

    Overview:

    2933499090. Other compounds containing quinoline or isoquinoline ring system [but not further fused]. VAT:17.0%. Tax refund rate:13.0%. Regulatory conditions:nothing. MFN tariff:6.5%. general tariff:20.0%

    Declaration elements:

    Product Name, component content, use to, Please indicate the appearance of Urotropine, 6- caprolactam please indicate the appearance, Signing date

    Summary:

    2933499090. other compounds containing in the structure a quinoline or isoquinoline ring-system (whether or not hydrogenated), not further fused. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

Isoquinolin-4-ylmethanamine Pricemore >>

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Additional information on Isoquinolin-4-ylmethanamine

Comprehensive Overview of Isoquinolin-4-ylmethanamine (CAS No. 58123-56-1): Properties, Applications, and Research Insights

Isoquinolin-4-ylmethanamine (CAS No. 58123-56-1) 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. The compound's unique structure, featuring an amino-methyl group at the 4-position of the isoquinoline backbone, grants it versatile chemical properties. Researchers and industries increasingly focus on derivatives like Isoquinolin-4-ylmethanamine due to their potential in drug discovery, particularly as intermediates for synthesizing bioactive molecules targeting neurological and metabolic pathways.

In recent years, the demand for isoquinoline derivatives has surged, driven by their applications in developing kinase inhibitors and GPCR modulators. The CAS No. 58123-56-1 compound is often explored for its role in creating novel therapeutic agents, aligning with trends in personalized medicine and AI-driven drug design. A growing body of literature highlights its utility in fragment-based drug discovery (FBDD), where its scaffold serves as a building block for optimizing drug-like properties. This aligns with frequent search queries such as "isoquinoline uses in medicine" and "CAS 58123-56-1 applications," reflecting user interest in its practical implications.

The synthesis of Isoquinolin-4-ylmethanamine typically involves multi-step organic reactions, including reductive amination or nucleophilic substitution of 4-chloroisoquinoline. Advanced techniques like microwave-assisted synthesis have improved yields and reduced reaction times, addressing industrial scalability challenges. Analytical characterization via NMR, HPLC, and mass spectrometry confirms its high purity, a critical factor for research-grade materials. These methodologies are frequently searched alongside terms like "how to synthesize isoquinoline derivatives" and "characterization of CAS 58123-56-1," underscoring the compound's technical appeal.

Beyond pharmaceuticals, Isoquinolin-4-ylmethanamine finds niche applications in agrochemicals and materials science. Its aromatic system enables π-π stacking interactions, making it valuable for designing organic semiconductors or fluorescent probes. This interdisciplinary utility resonates with trending topics such as "green chemistry in heterocyclic synthesis" and "organic electronics materials," often linked to sustainable innovation. Researchers also investigate its potential in metal-organic frameworks (MOFs), where its nitrogen-rich structure aids in gas storage or catalysis.

Safety and handling protocols for CAS No. 58123-56-1 emphasize standard laboratory practices, including PPE and ventilation. While not classified as hazardous under major regulatory frameworks, its storage recommendations (e.g., anhydrous conditions, inert atmosphere) are frequently queried, reflecting user concerns about compound stability. Regulatory compliance remains a key focus, with databases like PubChem and Reaxys providing updated toxicity profiles to guide responsible usage.

Future research directions for Isoquinolin-4-ylmethanamine may explore its enantioselective synthesis or biocatalytic production, aligning with the shift toward sustainable chemistry. Collaborations between academia and industry could accelerate its adoption in next-generation therapeutics, particularly for neurodegenerative diseases—a hotspot in biomedical searches. As the scientific community prioritizes structure-activity relationship (SAR) studies, this compound's modularity positions it as a promising candidate for innovation.

In summary, Isoquinolin-4-ylmethanamine (CAS No. 58123-56-1) exemplifies the intersection of traditional heterocyclic chemistry and modern applications. Its adaptability across drug development, materials engineering, and catalytic systems ensures sustained relevance, while user-driven queries highlight the need for accessible technical data. By addressing these dimensions, this overview bridges scientific rigor with real-world search intent, offering a holistic perspective on this valuable compound.

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