Benzyl-2,3,4,5,6-d5 Amine | CAS 1219802-81-9

OVERVIEW
Benzyl-2,3,4,5,6-d₅ amine is a fully deuterated aromatic amine in which all five hydrogen atoms on the benzene ring of benzylamine are replaced by deuterium. This isotopically labeled compound retains the same chemical reactivity as its non-deuterated analogue while exhibiting a distinct +5 Da mass increase. The presence of deuterium atoms enhances its utility in analytical, spectroscopic, and mechanistic studies by providing a clear isotopic distinction without altering the compound’s chemical behavior.

At ResolveMass Laboratories Inc., Benzyl-2,3,4,5,6-d₅ amine is synthesized with high isotopic enrichment and stringent purity standards, ensuring consistency and reliability for advanced research and quantitative analytical applications. The compound serves as a valuable tool for scientists in fields such as organic synthesis, mass spectrometry, drug metabolism, and isotopic tracer analysis.

CHEMICAL INFORMATION

• Name: Benzyl-2,3,4,5,6-d5 Amine

• Molecular Formula: C₇D₅CH₂NH₂ or C₇H₂D₅N

• Molecular Weight: 112.19 g/mol

• CAS Number: 1219802-81-9

• Isotopic Enrichment: ≥98 atom % D

• Stability: Stable under standard laboratory conditions; sensitive to oxidation upon prolonged air exposure

This compound’s stable deuterated benzyl group enhances molecular mass without changing basic chemical reactivity, making it a perfect internal standard and synthetic intermediate for isotopically labeled compounds.

APPLICATIONS  of  Benzyl-2,3,4,5,6-d5 Amine | CAS 1219802-81-9

1. Internal Standard for Quantitative Analysis:
Benzyl-2,3,4,5,6-d₅ amine is widely used as an internal standard in GC-MS and LC-MS quantification of amine-containing compounds. The +5 Da isotopic mass shift allows precise quantification in isotope-dilution assays without interference from native benzylamine. It is particularly valuable in trace analysis and complex sample matrices.

2. NMR Reference and Solvent Suppression Studies:
The compound’s deuterium-labeled aromatic ring significantly reduces ^1H NMR signals, enabling simplified spectral interpretation. It is ideal for use as a reference in ^13C or ^15N NMR studies and for evaluating isotopic effects on electronic environments and coupling constants.

3. Synthesis of Deuterated Derivatives:
The primary amine functionality makes Benzyl-2,3,4,5,6-d₅ amine an excellent precursor for synthesizing deuterated amides, imines, and heterocycles. These derivatives are valuable in pharmaceutical research for investigating metabolic pathways, drug clearance, and kinetic isotope effects.

4. Mechanistic and Kinetic Isotope Effect Studies:
The compound is used in mechanistic investigations where isotope effects provide insights into reaction pathways and transition states. Substituting aromatic hydrogens with deuterium allows for the evaluation of electronic and steric influences in substitution, oxidation, and reduction reactions.

5. Stable Isotope Tracing in Metabolism and Environmental Studies:
Due to its chemical stability and isotopic distinctiveness, Benzyl-2,3,4,5,6-d₅ amine is suitable for tracing studies in biochemical and environmental systems. Researchers employ it to monitor amine transformation, degradation, or assimilation under controlled conditions.

6. Calibration and Validation of Analytical Instruments:
As a stable isotopically labeled standard, it aids in calibration of mass spectrometers, ensuring accurate mass detection and retention time reproducibility in both quantitative and qualitative analyses.

ADVANTAGES  of  Benzyl-2,3,4,5,6-d5 Amine | CAS 1219802-81-9

• High Isotopic Purity (≥98 atom % D): Guarantees accurate isotopic labeling for precise analytical outcomes.

• Distinct Mass Shift (+5 Da): Enables clear identification and differentiation from unlabeled analogues.

• Chemically Equivalent to Benzylamine: Ensures comparable reactivity for direct substitution in experimental systems.

• Enhanced Stability: Deuterium substitution reduces oxidation rate and enhances compound longevity.

• Low Background Interference: Ideal for MS and NMR studies where spectral clarity is critical.

• Versatile Reactivity: Functional amine group enables wide applicability in deuterated compound synthesis.

HANDLING

• Handle in a well-ventilated area or chemical fume hood.

• Avoid inhalation, ingestion, or prolonged contact with skin.

• Use appropriate protective gear including gloves, goggles, and lab coat.

• Prevent contact with strong oxidizers and acids.

QUALITY & ANALYTICAL CHARACTERIZATION
ResolveMass Laboratories Inc. ensures that each batch of Benzyl-2,3,4,5,6-d₅ amine meets strict quality control criteria for isotopic and chemical integrity.

Analytical Verification Includes:

• Mass Spectrometry (MS): Confirms molecular ion and isotopic enrichment profile.

• NMR Spectroscopy (^1H, ^2H, ^13C, ^15N): Validates structure and degree of deuteration.

• Infrared Spectroscopy (IR): Detects characteristic C–D and N–H stretching vibrations.

• Gas Chromatography (GC): Confirms purity and retention time consistency.

All analytical results are documented through a Certificate of Analysis (COA) and Safety Data Sheet (SDS) to ensure transparency, traceability, and regulatory compliance.

SUMMARY
Benzyl-2,3,4,5,6-d₅ amine (CAS 1219802-81-9) is a high-purity, isotopically enriched aromatic amine ideal for isotope labeling, analytical calibration, and mechanistic research. With its strong deuterium incorporation, it provides excellent stability, spectral clarity, and isotopic precision in both synthetic and analytical applications.

ResolveMass Laboratories Inc. offers this compound with verified isotopic enrichment and chemical purity, supporting research in organic chemistry, pharmaceutical analysis, and stable isotope tracing with exceptional accuracy and reproducibility.