2-Amino-2-methyl-d3-propane-1,1,1,3,3,3-d6 HBr | CAS 134071-63-9

OVERVIEW
2-Amino-2-methyl-d₃-propane-1,1,1,3,3,3-d₆ hydrobromide is a fully deuterated isotopic analogue of 2-amino-2-methylpropane hydrobromide (tert-butylamine hydrobromide). This compound incorporates nine deuterium atoms — three replacing the methyl hydrogens and six replacing the methylene hydrogens — providing a total mass shift of +9 Da relative to the non-deuterated form. Its deuteration profile makes it a valuable standard in analytical, spectroscopic, and mechanistic studies.

This compound is widely used as an isotopically labeled reagent and internal standard in mass spectrometry (MS) and nuclear magnetic resonance (NMR) spectroscopy. Due to the chemical equivalence of deuterium and hydrogen, the compound retains identical reactivity and structural characteristics to its non-deuterated form. 2-Amino-2-methyl-d₃-propane-1,1,1,3,3,3-d₆ HBr, supplied by ResolveMass Laboratories Inc., is produced with exceptional isotopic enrichment and chemical purity, ensuring reproducibility and precision in both industrial and academic research applications.

CHEMICAL INFORMATION

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

• Molecular Formula: C₄D₉N·HBr

• Molecular Weight: 163.11 g/mol

• CAS Number: 134071-63-9

• Isotopic Enrichment: ≥98 atom % D

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

The hydrobromide salt form improves solubility and handling while maintaining the full isotopic signature required for analytical precision.

APPLICATIONS  of  2-Amino-2-methyl-d3-propane-1,1,1,3,3,3-d6 HBr | CAS 134071-63-9

1. Internal Standard for Mass Spectrometry (MS):
2-Amino-2-methyl-d₃-propane-1,1,1,3,3,3-d₆ HBr is extensively used as an internal standard in quantitative MS analyses, particularly in studies involving amine-containing compounds. The +9 Da isotopic shift allows accurate differentiation between labeled and unlabeled species, providing exceptional reliability in isotope dilution quantification and trace analysis.

2. NMR Spectroscopy and Reference Studies:
Due to its complete deuteration, this compound produces minimal ^1H NMR signals, allowing clear observation of exchangeable protons and simplifying complex spectra. It also serves as a reference for ^2H NMR experiments in studies of deuterium exchange and isotopic purity.

3. Kinetic Isotope Effect (KIE) and Mechanistic Investigations:
The replacement of hydrogen with deuterium allows researchers to study reaction mechanisms and kinetic isotope effects in proton transfer and substitution reactions. The compound’s stable tertiary amine structure and deuterated framework make it suitable for reaction rate comparison studies.

4. Calibration Standard for Analytical Instruments:
Its defined isotopic composition and thermal stability make it ideal for calibrating mass spectrometers, chromatographs, and other analytical instruments that rely on precise mass discrimination.

5. Synthesis of Deuterated Pharmaceuticals and Precursors:
It is an important building block in the synthesis of deuterated analogues of drugs and fine chemicals where labeled amino or alkyl groups are needed for pharmacokinetic or metabolic studies.

6. Tracer in Environmental and Biological Research:
The stable incorporation of deuterium allows for its use as a non-radioactive tracer in studies examining amine metabolism, environmental degradation pathways, and isotope distribution.

ADVANTAGES  of  2-Amino-2-methyl-d3-propane-1,1,1,3,3,3-d6 HBr | CAS 134071-63-9

• High Isotopic Enrichment (≥98 atom % D): Guarantees consistent isotopic labeling for analytical reliability.

• Distinct Mass Shift (+9 Da): Ensures clear distinction from unlabeled analogues in MS and isotope ratio measurements.

• Chemically Stable Hydrobromide Salt: Enhances solubility, stability, and handling safety.

• Minimal Proton Background: Simplifies NMR spectra for clear and interpretable results.

• Ideal for Mechanistic Chemistry: Supports kinetic isotope effect analysis and proton-transfer investigations.

• Excellent Reproducibility: Manufactured under strict isotopic quality control by ResolveMass Laboratories Inc.

HANDLING

• Use standard laboratory PPE, including gloves, goggles, and lab coat.

• Avoid inhalation and direct contact with skin or eyes.

• Handle under dry conditions to prevent moisture absorption.

• Use in a fume hood for large-scale operations.

QUALITY & ANALYTICAL CHARACTERIZATION
All batches of 2-Amino-2-methyl-d₃-propane-1,1,1,3,3,3-d₆ HBr from ResolveMass Laboratories Inc. undergo comprehensive testing to ensure high isotopic purity and chemical quality.

Analytical Characterization Includes:

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

• NMR Spectroscopy (^1H, ^2H, ^13C): Verifies complete deuteration and structural integrity.

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

• Elemental Analysis and HPLC: Ensures purity, isotopic consistency, and absence of residual solvents.

Each shipment is accompanied by a Certificate of Analysis (COA) and Safety Data Sheet (SDS) detailing isotopic enrichment, chemical composition, and handling guidelines.

SUMMARY
2-Amino-2-methyl-d₃-propane-1,1,1,3,3,3-d₆ HBr (CAS 134071-63-9) is a high-purity, fully deuterated tert-butylamine hydrobromide designed for isotope labeling, analytical calibration, and mechanistic research. Its complete deuteration, distinct mass shift, and chemical stability make it a superior choice for use in mass spectrometry, NMR, and kinetic isotope effect studies.

Produced by ResolveMass Laboratories Inc., this compound meets stringent isotopic and chemical quality standards, delivering consistent performance for research applications across analytical, synthetic, and physical chemistry disciplines.

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