3-Aminopropane-d6-sulfonic Acid | CAS 1131576-06-1

OVERVIEW
3-Aminopropane-d₆-sulfonic acid is a fully deuterated isotopologue of 3-aminopropanesulfonic acid (also known as taurine analogue), in which all six hydrogen atoms in the propyl chain are replaced by deuterium. This compound serves as a stable isotopic standard and is widely employed in analytical, biochemical, and spectroscopic research. The complete deuteration provides a +6 Da molecular mass shift relative to its non-deuterated analogue, enabling precise differentiation in mass spectrometric analyses and isotopic labeling experiments.

This compound is notable for retaining the physicochemical properties and chemical reactivity of its hydrogenated counterpart, while offering improved analytical traceability and reduced spectral interference in NMR spectroscopy. Produced under controlled isotopic substitution conditions, 3-Aminopropane-d₆-sulfonic acid from ResolveMass Laboratories Inc. is characterized by high isotopic enrichment and chemical purity, ensuring consistency and reliability for advanced scientific and industrial research applications.

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CHEMICAL INFORMATION

• Name: 3-Aminopropane-d₆-sulfonic acid;

• Molecular Formula: C₃D₆NO₃S

• Molecular Weight: 145.21 g/mol

• CAS Number: 1131576-06-1

• Isotopic Enrichment: ≥98 atom % D

• Stability: Chemically stable under ambient conditions; hygroscopic in nature

This deuterated analogue maintains zwitterionic character in aqueous solutions, existing as both an amino cation and sulfonate anion, ensuring similar solubility and reactivity patterns to natural taurine derivatives.

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APPLICATIONS  of  3-Aminopropane-d6-sulfonic Acid | CAS 1131576-06-1

1. Mass Spectrometry Internal Standard:
3-Aminopropane-d₆-sulfonic acid serves as a deuterated internal standard for quantitative mass spectrometry (MS) analysis of amino sulfonic acids and taurine analogues in biological and chemical samples. The +6 Da isotopic shift allows accurate quantification and normalization in isotope-dilution assays.

2. NMR Spectroscopy and Structural Analysis:
Deuteration of the carbon backbone eliminates proton-derived signal interference in ^1H NMR spectra, offering clear and simplified spectral data. This property makes it ideal for ^13C and ^15N NMR reference studies in amino acid and sulfonic acid systems.

3. Biochemical and Metabolic Tracing:
Used as a tracer in metabolic flux and isotope exchange studies to monitor sulfonic acid metabolism, amino group transformations, and taurine pathway kinetics. The stable incorporation of deuterium atoms enables clear tracking without altering physiological reactivity.

4. Calibration in Quantitative Analytical Methods:
Because of its isotopic consistency, it is used as a reference standard for calibrating analytical instruments such as LC-MS and capillary electrophoresis systems. Its consistent ionization behavior ensures reliable quantitation across multiple analytical platforms.

5. Deuterium Labeling in Synthetic and Mechanistic Chemistry:
As a stable and well-defined deuterated amino acid derivative, 3-Aminopropane-d₆-sulfonic acid is applied in mechanistic studies of proton transfer, hydrogen bonding, and acid-base equilibria, providing key insights into kinetic isotope effects and reaction pathways.

6. Pharmaceutical and Biomedical Research:
The compound acts as a deuterated analogue in studies of taurine-related physiological functions, neurotransmission, and cell osmoregulation, allowing researchers to differentiate endogenous taurine metabolism from introduced labeled compounds.

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ADVANTAGES  of  3-Aminopropane-d6-sulfonic Acid | CAS 1131576-06-1

• High Isotopic Enrichment: ≥98 atom % D ensures analytical precision and reproducibility.

• Chemical Equivalence to Parent Compound: Retains identical solubility, reactivity, and stability profiles.

• Distinct Mass Shift (+6 Da): Enables clear differentiation in isotope-based detection systems.

• Enhanced NMR Signal Clarity: Deuteration minimizes proton interference for accurate structure elucidation.

• Stable Zwitterionic Structure: Chemically robust under physiological and laboratory conditions.

• Ideal for Quantitative and Mechanistic Studies: Widely compatible with various analytical and biochemical techniques.

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HANDLING

• Avoid inhalation or ingestion of the powder.

• Handle under dry conditions using standard laboratory PPE (gloves, goggles, lab coat).

• Use in a well-ventilated area or fume hood.

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QUALITY & CHARACTERIZATION
Each batch of 3-Aminopropane-d₆-sulfonic acid produced by ResolveMass Laboratories Inc. is thoroughly characterized to ensure chemical purity and isotopic integrity through advanced analytical testing, including:

• Mass Spectrometry (MS): Verification of +6 Da isotopic mass shift.

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

• Infrared (IR) Spectroscopy: Identification of characteristic N–H, S=O, and C–D stretching frequencies.

• Chromatographic Purity (HPLC/GC): Ensures consistency, purity, and absence of residual solvents or contaminants.

Products are accompanied by a Certificate of Analysis (COA) and Safety Data Sheet (SDS), confirming isotopic enrichment, purity, and regulatory compliance.

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SUMMARY
3-Aminopropane-d₆-sulfonic acid (CAS 1131576-06-1) is a high-purity, fully deuterated analogue of 3-aminopropanesulfonic acid, designed for use in isotopic labeling, analytical calibration, metabolic tracing, and spectroscopic studies. Its deuterium enrichment, chemical stability, and functional equivalence to the non-deuterated compound make it indispensable for researchers seeking precision and reproducibility in advanced analytical chemistry and biochemical investigations.

Manufactured and quality-assured by ResolveMass Laboratories Inc., this compound provides superior isotopic labeling reliability, reproducible analytical performance, and consistent quality for high-level scientific research and development.