Cas no 7123-77-5 (4-(adamantan-1-yl)aniline hydrochloride)

4-(adamantan-1-yl)aniline hydrochloride structure
7123-77-5 structure
Product Name:4-(adamantan-1-yl)aniline hydrochloride
CAS No:7123-77-5
MF:C16H22ClN
MW:263.80558347702
MDL:MFCD00156564
CID:976225
PubChem ID:2771137
Update Time:2025-07-23

4-(adamantan-1-yl)aniline hydrochloride Chemical and Physical Properties

Names and Identifiers

    • 4-(1-ADAMANTYL)ANILINE HYDROCHLORIDE
    • 4-(1-ADAMANTANYL)ANILINE HYDROCHLORIDE
    • 4-Adamantan-1-yl-phenylamine hydrochloride
    • 4-(adamantan-1-yl)aniline hydrochloride
    • F1928-0015
    • 4-adamantylaniline hydrochloride
    • 4-(1-Adamantanyl)aniline, HCl
    • 4-(1-adamantyl)aniline;hydrochloride
    • 4-(ADAMANTAN-1-YL)ANILINEHYDROCHLORIDE
    • 7123-77-5
    • CHEMBL3228534
    • EN300-08247
    • SCHEMBL1983434
    • Z56895740
    • C16H22ClN
    • DTXSID10377917
    • VU0319572-3
    • NRAKTESVTUZFBK-UHFFFAOYSA-N
    • 1-(4-aminophenyl)adamantane hydrochloride
    • MFCD00156564
    • AKOS001476059
    • MDL: MFCD00156564
    • Inchi: 1S/C16H21N.ClH/c17-15-3-1-14(2-4-15)16-8-11-5-12(9-16)7-13(6-11)10-16;/h1-4,11-13H,5-10,17H2;1H
    • InChI Key: NRAKTESVTUZFBK-UHFFFAOYSA-N
    • SMILES: Cl.NC1C=CC(=CC=1)C12CC3CC(CC(C3)C1)C2

Computed Properties

  • Exact Mass: 263.14400
  • Monoisotopic Mass: 263.144
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 1
  • Heavy Atom Count: 18
  • Rotatable Bond Count: 1
  • Complexity: 259
  • Covalently-Bonded Unit Count: 2
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 26?2

Experimental Properties

  • Melting Point: 262 oC
  • PSA: 26.02000
  • LogP: 5.11980

4-(adamantan-1-yl)aniline hydrochloride Security Information

4-(adamantan-1-yl)aniline hydrochloride Customs Data

  • HS CODE:2921420090
  • Customs Data:

    China Customs Code:

    2921420090

    Overview:

    2921420090 Other aniline derivatives and their salts. VAT:17.0% Tax refund rate:9.0% Regulatory conditions:nothing MFN tariff:6.5% general tariff:30.0%

    Declaration elements:

    Product Name, component content, use to

    Summary:

    HS:2921420090 aniline derivatives and their salts VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:6.5% General tariff:30.0%

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Additional information on 4-(adamantan-1-yl)aniline hydrochloride

Professional Introduction to 4-(Adamantan-1-yl)aniline hydrochloride (CAS No. 7123-77-5)

4-(Adamantan-1-yl)aniline hydrochloride, with the chemical name 4-(adamantan-1-yl)aniline hydrochloride, is a significant compound in the field of pharmaceutical chemistry and molecular biology. This compound, identified by its CAS number CAS No. 7123-77-5, has garnered considerable attention due to its unique structural properties and potential applications in drug development and research.

The molecular structure of 4-(adamantan-1-yl)aniline hydrochloride consists of an adamantanyl group attached to an aniline moiety, with the hydrochloride salt form enhancing its solubility and stability. This structural configuration imparts several advantageous characteristics, making it a valuable intermediate in synthetic chemistry and a candidate for various biological assays.

In recent years, 4-(adamantan-1-yl)aniline hydrochloride has been extensively studied for its role in the development of novel therapeutic agents. Its rigid adamantane core provides stability against metabolic degradation, which is a critical factor in drug design. This stability, combined with the electron-donating properties of the aniline group, makes it an attractive scaffold for further derivatization and functionalization.

One of the most compelling aspects of 4-(adamantan-1-yl)aniline hydrochloride is its potential application in the field of medicinal chemistry. Researchers have explored its use as a precursor in the synthesis of bioactive molecules that target specific enzymatic pathways. For instance, studies have shown that derivatives of this compound exhibit inhibitory effects on certain kinases, which are implicated in various diseases, including cancer and inflammatory disorders.

The pharmacological properties of 4-(adamantan-1-yl)aniline hydrochloride have been further investigated in preclinical models. These studies have highlighted its ability to interact with biological targets in a manner that suggests therapeutic potential. The compound's ability to cross the blood-brain barrier has also been noted, opening up possibilities for its use in central nervous system (CNS) drug development.

Advances in computational chemistry have enabled more precise predictions of the interactions between 4-(adamantan-1-yl)aniline hydrochloride and biological targets. Molecular docking studies have identified key binding sites on proteins that could be exploited for drug design. These insights have guided the synthesis of more potent and selective analogs, enhancing the compound's therapeutic efficacy.

The synthetic methodologies for preparing 4-(adamantan-1-yl)aniline hydrochloride have also seen significant advancements. Modern techniques, such as transition metal-catalyzed cross-coupling reactions, have made it possible to construct the desired molecular framework with high efficiency and yield. These improvements have not only streamlined the production process but also opened up new avenues for structural diversification.

In addition to its pharmaceutical applications, 4-(adamantan-1-yl)aniline hydrochloride has found utility in materials science. Its unique properties make it suitable for use in organic light-emitting diodes (OLEDs), liquid crystals, and other advanced materials. The compound's rigidity and stability contribute to the performance and durability of these materials, making it a valuable component in next-generation technologies.

The safety profile of 4-(adamantan-1-yl)aniline hydrochloride has been thoroughly evaluated through various toxicological studies. These assessments have demonstrated that the compound is well-tolerated at relevant doses, suggesting its potential for safe clinical use. However, further research is needed to fully understand its long-term effects and optimal dosing regimens.

Future directions in the study of 4-(adamantan-1-yl)aniline hydrochloride include exploring its role in combination therapies. By pairing this compound with other agents that target different pathways, researchers aim to develop synergistic treatments that enhance therapeutic outcomes. Additionally, investigating its mechanisms of action will provide deeper insights into its biological effects and guide the development of more refined pharmacological strategies.

The integration of artificial intelligence (AI) into drug discovery has accelerated the pace at which compounds like 4-(adamantan-1-yl)aniline hydrochloride are being developed. AI algorithms can predict how different molecular structures will behave biologically, allowing researchers to design more effective drugs faster than traditional methods alone. This synergy between computational power and experimental validation is revolutionizing pharmaceutical research.

In conclusion, 4-(adamantan-1-yl)aniline hydrochloride (CAS No. 7123-77-5) is a multifaceted compound with significant potential across multiple scientific disciplines. Its unique structural features make it a valuable tool in pharmaceutical development, materials science, and beyond. As research continues to uncover new applications and refine synthetic methods, this compound is poised to play an increasingly important role in advancing scientific knowledge and technological innovation.

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