2-Chloro-N,N-dimethyl-d6-ethylene-d4-amine HCl | CAS 97941-91-8

OVERVIEW
2-Chloro-N,N-dimethyl-d₆-ethylene-d₄-amine hydrochloride is a fully deuterated analog of 2-chloro-N,N-dimethylethylamine hydrochloride, designed for advanced isotopic labeling and analytical research. In this compound, the ethylene chain contains four deuterium atoms, while the two methyl groups on the nitrogen are deuterated with six deuterium atoms, providing a total of ten deuterium substitutions. This extensive deuteration results in a +10 Da molecular weight shift while preserving the compound’s chemical structure and reactivity.

As a stable isotope-labeled compound, 2-chloro-N,N-dimethyl-d₆-ethylene-d₄-amine HCl is widely used in synthetic chemistry, pharmacokinetic studies, and analytical mass spectrometry. Its deuterium enrichment enhances stability, reduces metabolic degradation, and facilitates detailed mechanistic studies by serving as a tracer or isotopic standard. The compound’s alkylating nature also makes it valuable as a deuterated intermediate in the synthesis of isotopically labeled pharmaceuticals and biologically active molecules.

CHEMICAL INFORMATION

• Name: 2-Chloro-N,N-dimethyl-d₆-ethylene-d₄-amine hydrochloride

• Molecular Formula: C₄H₂D₁₀Cl₂N

• Molecular Weight: 166.10 g/mol

• CAS Number: 97941-91-8

• Isotopic Enrichment: ≥ 98 atom % D

• Chemical Class: Deuterated haloalkylamine hydrochloride; stable isotope-labeled reagent

• Stability: Stable under ambient laboratory conditions; sensitive to prolonged exposure to moisture or strong oxidizers

APPLICATIONS  of  2-Chloro-N,N-dimethyl-d6-ethylene-d4-amine HCl | CAS 97941-91-8

• Synthesis of Deuterium-Labeled Compounds:
  Serves as a versatile precursor for preparing deuterated analogs of tertiary amines, pharmaceuticals, and biochemical intermediates. The fully deuterated structure enables its use in creating isotopically enriched reference materials.

• Stable Isotope Tracing and Metabolic Studies:
  Employed as a tracer molecule in metabolic and pharmacokinetic research, allowing scientists to follow reaction pathways and metabolic transformations with high isotopic resolution.

• Mass Spectrometry (MS) Internal Standard:
  Widely used as an internal standard in quantitative mass spectrometric analyses due to its distinct isotopic mass (+10 Da), providing accurate differentiation from non-deuterated analogs and ensuring precise quantitation.

• Medicinal Chemistry and Drug Development:
  Utilized for the synthesis of deuterated analogs of therapeutic agents containing the dimethylaminoethyl moiety. The deuteration enhances metabolic resistance and allows assessment of deuterium isotope effects on pharmacological properties.

• NMR Spectroscopy and Mechanistic Studies:
  Serves as a model compound for examining isotope effects on chemical shift and reaction kinetics, enabling more accurate mechanistic interpretations in organic and organometallic chemistry.

ADVANTAGES  of  2-Chloro-N,N-dimethyl-d6-ethylene-d4-amine HCl | CAS 97941-91-8

• Fully deuterated (10D) structure for comprehensive isotopic substitution.

• Chemically and isotopically stable, with high labeling efficiency (≥ 98 atom % D).

• Non-radioactive and safe to handle compared to radiolabeled analogs.

• Retains identical reactivity and physicochemical properties to the non-deuterated parent compound.

• Enhances analytical reliability and reproducibility in quantitative research.

HANDLING

• Hazards: Irritant and corrosive; may cause burns to skin, eyes, and respiratory tract upon exposure. Toxic if swallowed or inhaled.

• Precautions: Handle with appropriate safety measures including gloves, goggles, and lab coat. Use only in a fume hood or well-ventilated laboratory space. Avoid contact with strong acids or bases.

• Storage: Store tightly closed under cool, dry, and inert conditions. Protect from light and moisture.

• Disposal: Dispose of waste in compliance with local, regional, and national regulations. Avoid release into drains or the environment.

Safety Note: The compound contains both amine and halogen functionalities, which may react with nucleophilic or basic reagents. Handle carefully to avoid degradation or unwanted reactions.

QUALITY & SPECIFICATION

• Chemical Purity: ≥ 98 %

• Isotopic Enrichment: ≥ 98 atom % D

• Water Content: ≤ 0.05 %

• Analytical Methods: Verified by ¹H NMR, ²H NMR, IR spectroscopy, and LC-MS

• Appearance: White crystalline or powdery solid

• COA Availability: Each batch is accompanied by a Certificate of Analysis confirming isotopic and chemical purity

SUMMARY
2-Chloro-N,N-dimethyl-d₆-ethylene-d₄-amine hydrochloride (CAS 97941-91-8) is a high-purity, fully deuterated compound combining both ethylene and dimethyl deuteration for advanced isotopic labeling applications. Its structural and isotopic precision makes it invaluable for use in synthetic, analytical, and biochemical research. The compound plays a vital role in isotope tracer studies, drug metabolism analysis, and the synthesis of deuterated analogs, offering stability, reproducibility, and accuracy across diverse scientific disciplines.