N-Nitrosodimethyl-d6-amine | CAS 17829-05-9

OVERVIEW
N-Nitrosodimethyl-d₆-amine (NDMA-d₆) is the fully deuterated isotopologue of N-nitrosodimethylamine (NDMA), a volatile nitrosamine compound of significant analytical and environmental relevance. In this derivative, all six hydrogen atoms on the two methyl groups are replaced by deuterium, giving a +6 Da isotopic mass shift while maintaining identical chemical and physical behavior to its non-deuterated counterpart.

NDMA-d₆ is primarily utilized as a stable isotope-labeled internal standard in trace-level quantification of nitrosamines using gas chromatography–mass spectrometry (GC-MS) or liquid chromatography–tandem mass spectrometry (LC-MS/MS). Its isotopic labeling enables accurate correction for matrix effects, sample loss, and instrumental variability, providing highly precise and reproducible results in regulatory testing, environmental monitoring, and toxicological studies.

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CHEMICAL INFORMATION

• Name: N-Nitrosodimethyl-d₆-amineMolecular Formula: C₂D₆N₂O

• Molecular Weight: 80.12 g/mol

• CAS Number: 17829-05-9

• Isotopic Enrichment: ≥ 98 atom % D

• Chemical Class: Deuterated nitrosamine; secondary amine derivative

• Stability: Stable at ambient temperature under inert and dark conditions; decomposes under UV light or in the presence of strong acids

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APPLICATIONS  of  N-Nitrosodimethyl-d6-amine | CAS 17829-05-9

• Analytical Chemistry (Internal Standard):
  NDMA-d₆ is widely employed as an internal standard for quantifying NDMA and related nitrosamines in environmental, pharmaceutical, and food samples. Its isotopic mass shift enables clear differentiation from NDMA, allowing accurate quantitation by GC-MS and LC-MS methods even at trace (ng/L or pg/mL) levels.

• Pharmaceutical Quality Control:
  Used in the detection and quantification of nitrosamine impurities in pharmaceutical products as required by regulatory agencies such as the FDA, EMA, and ICH. NDMA-d₆ helps ensure compliance with stringent nitrosamine impurity limits.

• Environmental Monitoring:
  Utilized in water testing laboratories to detect NDMA contamination in drinking water, wastewater, and industrial effluents. It is also applied in air and soil studies for assessing nitrosamine pollution sources.

• Toxicological and Metabolic Research:
  Serves as a stable isotope tracer in mechanistic and metabolic studies to track NDMA formation, degradation, and bioactivation in biological systems. This helps elucidate the biochemical pathways and carcinogenic mechanisms of nitrosamines.

• Stable Isotope Tracing:
  Enables precise investigation of chemical kinetics, photolysis, and oxidative degradation reactions of nitrosamines under controlled laboratory conditions.

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ADVANTAGES  of  N-Nitrosodimethyl-d6-amine | CAS 17829-05-9

• Fully deuterated (+6 Da shift) for unambiguous MS differentiation

• High isotopic and chemical purity (≥98%) ensures reproducible analytical results

• Chemically identical to native NDMA for perfect chromatographic behavior

• Stable and non-radioactive isotopic label for safe laboratory use

• Enhances method accuracy, precision, and recovery efficiency in analytical workflows

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HANDLING

• Hazards: Classified as a probable human carcinogen; highly toxic by inhalation, ingestion, and skin contact. Handle exclusively in a fume hood under strict safety controls.

• Precautions: Wear chemical-resistant gloves, protective eyewear, and laboratory coats. Avoid all exposure routes and prolonged handling.

• Storage: Keep sealed in amber glass vials at 2–8 °C. Store away from light, heat, acids, and oxidizing agents.

• Spill and Disposal: Absorb spills with inert materials and dispose of all contaminated waste in accordance with local hazardous waste regulations for carcinogenic substances.

Safety Note: Despite deuteration, NDMA-d₆ retains the carcinogenic and toxic properties of non-deuterated NDMA. All handling should follow appropriate carcinogen safety protocols.

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QUALITY & SPECIFICATION

• Chemical Purity: ≥ 98 %

• Isotopic Enrichment: ≥ 98 atom % D

• Water Content: ≤ 0.05 %

• Analytical Verification: Confirmed by ¹H NMR, ²H NMR, FT-IR, and high-resolution mass spectrometry (HRMS)

• COA Provided: Each batch is supplied with a Certificate of Analysis verifying isotopic enrichment, purity, and identity

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SUMMARY
N-Nitrosodimethyl-d₆-amine (CAS 17829-05-9) is a high-purity, stable isotope-labeled analog of NDMA used as a reference standard in analytical, environmental, and pharmaceutical testing. Its deuterium substitution provides accurate isotopic distinction for trace-level quantification of NDMA and related nitrosamines. Known for its reliability and analytical precision, NDMA-d₆ is a vital tool in monitoring nitrosamine impurities, supporting environmental safety, and advancing toxicological research.

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