Cas no 1060688-77-8 (N-BENZYL-TERT-BUTYL-D9-AMINE)

N-BENZYL-TERT-BUTYL-D9-AMINE is a deuterated amine compound featuring nine deuterium atoms, enhancing its utility in isotopic labeling studies. The incorporation of deuterium (D9) improves metabolic stability and reduces hydrogen-deuterium exchange, making it valuable for pharmacokinetic and mechanistic research. The tert-butyl group provides steric hindrance, influencing reactivity and selectivity in synthetic applications, while the benzyl moiety offers versatility for further functionalization. This compound is particularly useful in NMR spectroscopy and mass spectrometry due to its distinct isotopic signature. Its high purity and well-defined structure ensure reproducibility in research applications, supporting investigations in medicinal chemistry and drug development.
N-BENZYL-TERT-BUTYL-D9-AMINE structure
N-BENZYL-TERT-BUTYL-D9-AMINE structure
Product Name:N-BENZYL-TERT-BUTYL-D9-AMINE
CAS No:1060688-77-8
MF:C11H17N
MW:172.314838171005
CID:1066306
Update Time:2025-11-02

N-BENZYL-TERT-BUTYL-D9-AMINE Chemical and Physical Properties

Names and Identifiers

    • N-Benzyl-tert-butyl-d9-amine
    • N-BENZYL-TERT-BUTYL-D9-AMINE
    • Inchi: 1S/C11H17N/c1-11(2,3)12-9-10-7-5-4-6-8-10/h4-8,12H,9H2,1-3H3/i1D3,2D3,3D3
    • InChI Key: DLSOILHAKCBARI-GQALSZNTSA-N
    • SMILES: N(C(C([2H])([2H])[2H])(C([2H])([2H])[2H])C([2H])([2H])[2H])CC1=CC=CC=C1

N-BENZYL-TERT-BUTYL-D9-AMINE Pricemore >>

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Additional information on N-BENZYL-TERT-BUTYL-D9-AMINE

N-BENZYL-TERT-BUTYL-D9-AMINE (CAS 1060688-77-8): A Comprehensive Guide to Its Properties and Applications

N-BENZYL-TERT-BUTYL-D9-AMINE (CAS 1060688-77-8) is a specialized deuterated amine compound that has gained significant attention in pharmaceutical research and analytical chemistry. This deuterium-labeled derivative of benzyl-tert-butylamine offers unique advantages in mass spectrometry studies, metabolic research, and drug development. The incorporation of nine deuterium atoms (D9) makes this compound particularly valuable as an internal standard or tracer molecule in various scientific applications.

The chemical structure of N-BENZYL-TERT-BUTYL-D9-AMINE features a benzyl group attached to a tert-butylamine moiety, with deuterium atoms strategically placed at specific positions. This deuterated amine typically appears as a colorless to pale yellow liquid at room temperature, with molecular weight varying slightly from its non-deuterated counterpart due to the isotopic substitution. Researchers value this compound for its excellent stability and predictable fragmentation patterns in mass spectrometric analysis.

In pharmaceutical applications, N-BENZYL-TERT-BUTYL-D9-AMINE serves as a crucial reference standard in drug metabolism and pharmacokinetic (DMPK) studies. The deuterium labeling allows scientists to track the compound's behavior in biological systems without interference from endogenous compounds. Recent trends in drug development have increased demand for such isotopically labeled compounds, particularly as the pharmaceutical industry focuses more on precision medicine and personalized drug therapies.

Analytical chemists frequently employ CAS 1060688-77-8 in quantitative mass spectrometry methods. The D9-labeled version provides a reliable internal standard that co-elutes with its non-deuterated analog while producing distinct mass spectral signatures. This property makes it invaluable for accurate quantification in complex biological matrices, addressing current challenges in bioanalytical method development and validation.

The synthesis of N-BENZYL-TERT-BUTYL-D9-AMINE typically involves specialized deuteration techniques to ensure high isotopic purity. Manufacturers must maintain strict quality control to guarantee the compound's deuterium enrichment meets research requirements. Current market trends show growing interest in such custom deuterated chemicals, driven by advancements in analytical instrumentation and increasing regulatory demands for thorough drug characterization.

Environmental scientists have also explored applications for N-BENZYL-TERT-BUTYL-D9-AMINE in fate and transport studies. The deuterium label enables researchers to distinguish between the compound and naturally occurring substances in environmental samples. This capability aligns with current environmental monitoring priorities and the need to understand chemical persistence in ecosystems.

Quality specifications for CAS 1060688-77-8 typically include parameters such as isotopic purity (usually ≥98% D9), chemical purity (≥95%), and absence of specific impurities. These standards ensure the compound's reliability in sensitive analytical applications. The growing emphasis on data reproducibility in scientific research has further elevated the importance of high-quality deuterated reference materials like this one.

Storage and handling of N-BENZYL-TERT-BUTYL-D9-AMINE require standard laboratory precautions for organic compounds. Proper storage in tightly sealed containers under inert atmosphere helps maintain the compound's stability and prevents isotopic exchange. These handling protocols reflect current best practices in chemical management and laboratory safety standards.

The market for deuterated compounds like N-BENZYL-TERT-BUTYL-D9-AMINE continues to expand, with increasing applications in drug discovery, environmental science, and materials research. Recent technological advancements in NMR and MS instrumentation have created new opportunities for utilizing such isotopically labeled materials in cutting-edge research projects.

Future developments may see CAS 1060688-77-8 playing roles in emerging areas such as metabolomics and imaging mass spectrometry. The compound's unique properties position it well to contribute to these rapidly growing fields. As research becomes more quantitative and data-driven, the demand for reliable deuterium-labeled standards is expected to rise correspondingly.

In conclusion, N-BENZYL-TERT-BUTYL-D9-AMINE represents an important tool in modern chemical research and analysis. Its combination of structural features and deuterium labeling makes it particularly valuable for applications requiring precise molecular tracking and quantification. As scientific techniques continue to advance, compounds like this will likely find even broader utility across multiple disciplines.

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