N-Nitrosodi-n-propyl-d14-amine | CAS 93951-96-3

OVERVIEW
N-Nitrosodi-n-propyl-d₁₄-amine is a fully deuterated isotopologue of N-nitrosodi-n-propylamine (NDPA), a member of the nitrosamine family known for its use as a reference material in analytical and environmental testing. In this deuterated form, all fourteen hydrogen atoms of the two propyl chains are replaced by deuterium, resulting in a molecular mass increase of +14 Da while retaining identical physicochemical and chromatographic characteristics to the non-deuterated parent compound.

This compound serves as a stable isotope-labelled internal standard in GC-MS and LC-MS analyses for the detection and quantification of NDPA and other nitrosamines in various matrices such as air, water, food, pharmaceuticals, and biological fluids. Its deuterium labelling provides clear isotopic differentiation, ensuring high-precision quantification and method accuracy, particularly in ultra-trace detection of nitrosamine contaminants.

CHEMICAL INFORMATION

• Name: N-Nitrosodi-n-propyl-d₁₄-amine

• Molecular Formula: C₆D₁₄N₂O

• Molecular Weight: 144.28 g/mol

• CAS Number: 93951-96-3

• Isotopic Enrichment: ≥ 98 atom % D

• Chemical Class: Deuterated nitrosamine; secondary amine derivative

• Stability: Stable under ambient conditions; may decompose upon prolonged exposure to light, heat, or acids

APPLICATIONS  of  N-Nitrosodi-n-propyl-d14-amine | CAS 93951-96-3

• Internal Standard for GC-MS and LC-MS Analysis:
  N-Nitrosodi-n-propyl-d₁₄-amine is primarily used as an internal standard in gas chromatography–mass spectrometry and liquid chromatography–mass spectrometry methods to quantify trace levels of NDPA and related nitrosamines. Its +14 Da mass shift allows for unambiguous identification and precise quantitation, even in complex sample matrices.

• Environmental and Regulatory Testing:
  Widely employed in environmental monitoring programs to detect nitrosamine pollutants in water, air, and soil samples. It plays a key role in ensuring regulatory compliance with stringent global standards set by agencies such as the EPA, FDA, and WHO.

• Pharmaceutical Impurity Analysis:
  Used in pharmaceutical laboratories to identify and quantify nitrosamine impurities that may form during synthesis or storage of drug products. The deuterated standard improves the sensitivity and accuracy of quality control and validation assays.

• Toxicological and Biochemical Research:
  Enables detailed metabolic and mechanistic studies on nitrosamine formation, degradation, and bioactivation pathways in biological systems. The isotopic label facilitates tracing of compound fate in metabolism and reaction kinetics experiments.

• Stable Isotope Tracing in Reaction Mechanisms:
  Provides valuable insight into nitrosation, oxidative degradation, and photolysis processes of nitrosamines under various environmental and laboratory conditions.

ADVANTAGES  of  N-Nitrosodi-n-propyl-d14-amine | CAS 93951-96-3

• Fully deuterated with high isotopic enrichment (≥98 atom % D) for precise mass differentiation (+14 Da).

• Chemically and physically equivalent to native NDPA, ensuring accurate analytical calibration.

• Ideal for trace-level quantification in complex matrices.

• Stable and reproducible performance across GC-MS and LC-MS platforms.

• Non-radioactive and safe for use in standard analytical environments.

HANDLING

• Hazards: Classified as a potential carcinogen; harmful if inhaled, ingested, or absorbed through the skin. Handle only in a certified fume hood with appropriate safety precautions.

• Precautions: Avoid inhalation and contact with eyes, skin, or clothing. Use protective gloves, safety goggles, and lab coats. Work under controlled ventilation.

• Storage: Keep containers tightly closed in a cool (2–8 °C), dry, and well-ventilated area, away from direct sunlight and incompatible materials such as oxidizing agents and acids.

• Spill Response: Contain spills immediately with absorbent material and dispose of waste according to local hazardous waste management regulations.

Safety Note: Although deuterated, this compound maintains the carcinogenic potential of non-deuterated NDPA and must be handled with the same level of caution.

QUALITY & SPECIFICATION
Each batch of N-Nitrosodi-n-propyl-d₁₄-amine undergoes stringent analytical testing to confirm its isotopic composition, purity, and structural integrity.

• Chemical Purity: ≥ 98 %

• Isotopic Enrichment: ≥ 98 atom % D

• Water Content: ≤ 0.05 %

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

• Appearance: Clear, pale yellow liquid, free from visible impurities

• COA Provided: Each batch is accompanied by a Certificate of Analysis verifying isotopic enrichment and analytical purity.

SUMMARY
N-Nitrosodi-n-propyl-d₁₄-amine (CAS 93951-96-3) is a high-purity, fully deuterated nitrosamine standard designed for use in mass spectrometry-based analyses of environmental and pharmaceutical samples. Its high isotopic enrichment, chemical stability, and analytical accuracy make it an indispensable tool for quantifying nitrosamine contaminants, tracing chemical degradation pathways, and validating analytical methods. As a reliable and reproducible internal standard, it plays a critical role in maintaining the precision and quality of nitrosamine analysis in research and regulatory laboratories.