2-Amino-2-methyl-d3-propane-1,1,1,3,3,3-d6 | CAS 6045-08-5

OVERVIEW
2-Amino-2-methyl-d₃-propane-1,1,1,3,3,3-d₆ is a fully deuterated isotopic analogue of 2-amino-2-methylpropane (commonly known as tert-butylamine). This compound features nine deuterium atoms—three replacing the methyl hydrogens and six on the methylene positions—providing a total mass shift of +9 Da compared to its non-deuterated form. Its stable isotopic labeling and identical chemical reactivity to the parent compound make it an exceptional reagent and reference material in isotope-based research, quantitative analysis, and mechanistic chemistry.

This compound is widely utilized in mass spectrometry (MS), nuclear magnetic resonance (NMR) spectroscopy, and kinetic isotope effect (KIE) studies. Its complete deuteration eliminates interference from proton signals and allows for accurate mass differentiation, making it an ideal choice for analytical and synthetic applications. ResolveMass Laboratories Inc. manufactures and supplies 2-Amino-2-methyl-d₃-propane-1,1,1,3,3,3-d₆ with high isotopic enrichment and purity, ensuring analytical precision and reproducibility across a variety of research settings.

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CHEMICAL INFORMATION

• Name: 2-Amino-2-methyl-d₃-propane-1,1,1,3,3,3-d₆

• Molecular Formula: C₄D₉N

• Molecular Weight: 82.19 g/mol

• CAS Number: 6045-08-5

• Isotopic Enrichment: ≥98 atom % D

• Stability: Stable under standard laboratory conditions; sensitive to prolonged exposure to air and moisture

The complete substitution of hydrogen with deuterium provides consistent isotopic labeling while maintaining the same chemical and physical behavior as the non-deuterated tert-butylamine.

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APPLICATIONS  of  2-Amino-2-methyl-d3-propane-1,1,1,3,3,3-d6 | CAS 6045-08-5

1. Mass Spectrometry (MS) Internal Standard:
2-Amino-2-methyl-d₃-propane-1,1,1,3,3,3-d₆ is extensively used as an internal standard for mass spectrometric quantification of amine-based compounds. Its +9 Da isotopic shift allows precise differentiation between labeled and unlabeled species, enabling high-accuracy isotope dilution analysis.

2. NMR Spectroscopy:
The fully deuterated molecule significantly reduces proton background signals in ^1H NMR, simplifying spectra and enhancing the detection of other nuclei such as ^13C and ^15N. It is also used as a ^2H NMR reference compound in isotopic purity verification.

3. Kinetic Isotope Effect (KIE) Studies:
The substitution of hydrogen with deuterium allows for detailed investigation of reaction mechanisms involving amine reactivity, hydrogen transfer, and bond cleavage processes. Researchers utilize it to assess rate differences arising from isotopic substitution, providing insights into reaction pathways.

4. Calibration and Standardization in Analytical Chemistry:
Due to its well-defined isotopic mass and high purity, this compound serves as an excellent calibration standard for chromatographic and spectrometric systems requiring accurate mass referencing and reproducible response factors.

5. Synthesis of Deuterated Pharmaceuticals:
2-Amino-2-methyl-d₃-propane-1,1,1,3,3,3-d₆ is a versatile intermediate in the preparation of deuterium-labeled pharmaceutical compounds, particularly those containing tertiary amine moieties. Its isotopic signature allows tracing of metabolic transformations in pharmacokinetic and bioavailability studies.

6. Tracer in Biochemical and Environmental Research:
The compound’s chemical inertness and isotopic stability make it an ideal tracer in environmental degradation studies, amine transport analysis, and isotope ratio investigations in biological systems.

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ADVANTAGES  of  2-Amino-2-methyl-d3-propane-1,1,1,3,3,3-d6 | CAS 6045-08-5

• High Isotopic Enrichment (≥98 atom % D): Ensures precision in isotopic analysis and labeling.

• Distinct +9 Da Mass Shift: Allows clear and unambiguous detection in mass spectrometry.

• Chemical Equivalence: Maintains the same reactivity, solubility, and volatility as tert-butylamine.

• Enhanced NMR Spectral Clarity: Reduced proton signals facilitate better resolution and simplified analysis.

• Versatile Utility: Applicable across isotope chemistry, analytical calibration, synthetic chemistry, and mechanistic studies.

• Stable and Non-Toxic: Safe for laboratory handling under standard safety procedures.

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HANDLING

• Avoid inhalation or contact with skin and eyes.

• Use gloves, protective goggles, and a lab coat when handling.

• Work in a fume hood to minimize vapor exposure.

• Keep container tightly closed when not in use.

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QUALITY & CHARACTERIZATION
Every batch of 2-Amino-2-methyl-d₃-propane-1,1,1,3,3,3-d₆ from ResolveMass Laboratories Inc. undergoes stringent quality control to ensure consistency and isotopic accuracy.

Analytical Characterization Includes:

• Mass Spectrometry (MS): Confirms the molecular ion and +9 Da isotopic mass shift.

• Nuclear Magnetic Resonance (NMR): ^1H, ^2H, and ^13C analyses confirm deuteration pattern and molecular structure.

• Infrared (IR) Spectroscopy: Detects N–H and C–D vibrational frequencies.

• Chromatographic Purity (HPLC/GC): Ensures the absence of impurities or unreacted starting materials.

Each product is delivered with a Certificate of Analysis (COA) and Safety Data Sheet (SDS) detailing purity, isotopic enrichment, and analytical verification.

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SUMMARY
2-Amino-2-methyl-d₃-propane-1,1,1,3,3,3-d₆ (CAS: 8/5/6045) is a high-purity, fully deuterated isotopic analogue of tert-butylamine, offering precise isotopic labeling and exceptional analytical reliability. With its distinct +9 Da mass shift and stable physicochemical properties, it is widely utilized in NMR spectroscopy, MS calibration, kinetic isotope studies, and deuterated compound synthesis.

Manufactured to rigorous standards by ResolveMass Laboratories Inc., this compound ensures superior isotopic enrichment, reproducibility, and consistency for research applications in analytical, synthetic, and mechanistic chemistry.