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N,N-Diethylaniline-[d4]

General Information
Catalog: BLP-011977
CAS: 87385-39-5
Molecular Formula: C10H11D4N
Molecular Weight: 153.26
Chemical Structure
N,N-Diethylaniline-[d4]
Synonyms N,N-Di(ethyl-1,1-d2)aniline
IUPAC Name N,N-bis(1,1-dideuterioethyl)aniline
Related CAS 91-66-7 (unlabelled)
Canonical SMILES CCN(CC)C1=CC=CC=C1
InChI InChI=1S/C10H15N/c1-3-11(4-2)10-8-6-5-7-9-10/h5-9H,3-4H2,1-2H3/i3D2,4D2
InChI Key GGSUCNLOZRCGPQ-KHORGVISSA-N
Boiling Point 213.5±9.0 °C at 760 mmHg
Purity 98% atom D
Density 0.9±0.1 g/cm3
Storage Store at -20°C

N,N-Diethylaniline-[d4] is a deuterated chemical compound commonly used in research and analytical applications. Here are some key applications of N,N-Diethylaniline-[d4]:

Stable Isotope Labeling: N,N-Diethylaniline-[d4] serves as a stable isotope-labeled compound that’s invaluable in mass spectrometry. Its use in stable isotope labeling allows researchers to differentiate between compound metabolism and other reactions in complex mixtures. This is crucial for quantitative analysis in pharmacokinetics and metabolic studies, helping to accurately trace molecular changes.

Reference Standard in Analytical Chemistry: As a deuterated compound, N,N-Diethylaniline-[d4] is used as an internal standard in various analytical methods. Its distinct isotopic signature aids in compensating for sample variations and improving the precision of analytical techniques like gas chromatography-mass spectrometry (GC-MS). By providing a reliable reference point, it ensures better accuracy and reproducibility in chemical analysis.

Reaction Mechanism Studies: N,N-Diethylaniline-[d4] is used to study reaction mechanisms in chemical and pharmaceutical research. By substituting hydrogen atoms with deuterium, researchers can gain insights into kinetic isotope effects, which help elucidate the paths and rates of chemical reactions. This information is essential for understanding and optimizing synthetic processes.

Environmental Monitoring: The compound is employed in environmental studies to track pollution sources and transformation products. Using its isotopic signature, scientists can detect and quantify trace amounts of pollutants in environmental samples such as air, water, and soil. This capability is vital for assessing environmental impact and ensuring compliance with safety regulations.

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