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MDE-[d6]

General Information
Catalog: BLP-011935
CAS: 160227-44-1
Molecular Formula: C12H11D6NO2
Molecular Weight: 213.31
Chemical Structure
MDE-[d6]
Synonyms MDE D6
IUPAC Name 3-(1,3-benzodioxol-5-yl)-1,1,1-trideuterio-N-(2,2,2-trideuterioethyl)propan-2-amine
Related CAS 82801-81-8 (unlabelled)
Isomeric SMILES [2H]C([2H])([2H])CNC(CC1=CC2=C(C=C1)OCO2)C([2H])([2H])[2H]
Canonical SMILES CCNC(C)CC1=CC2=C(C=C1)OCO2
InChI InChI=1S/C12H17NO2/c1-3-13-9(2)6-10-4-5-11-12(7-10)15-8-14-11/h4-5,7,9,13H,3,6,8H2,1-2H3/i1D3,2D3
InChI Key PVXVWWANJIWJOO-WFGJKAKNSA-N
Purity 95% atom D
Storage Store at -20°C

MDE-[d6] is a deuterated compound often used in scientific research and various industrial applications due to its stable isotopic properties. Here are some key applications of MDE-[d6]:

Analytical Chemistry: MDE-[d6] is frequently employed as an internal standard in mass spectrometry analyses. Its deuterium labeling makes it distinguishable from non-deuterated compounds, allowing for precise quantification of analytes. This ensures accuracy and reliability in results, which is critical in pharmaceuticals and environmental studies.

Pharmaceutical Research: In drug metabolism studies, MDE-[d6] helps researchers investigate the metabolic pathways of pharmaceuticals. By tracking the deuterated molecules, scientists can gain insights into drug absorption, distribution, metabolism, and excretion. This information is vital for drug development, ensuring safety and efficacy in therapeutic applications.

Materials Science: MDE-[d6] is used in the synthesis of advanced materials, where its deuterium content can alter physical characteristics. By incorporating MDE-[d6], researchers can develop materials with unique properties like enhanced stability or specific vibrational modes. This capability is invaluable in crafting tailored materials for electronics, coatings, and other high-tech applications.

Nuclear Magnetic Resonance (NMR) Spectroscopy: In NMR studies, MDE-[d6] serves as a solvent or reference standard due to its unique isotopic composition. The absence of proton signals from deuterium reduces background noise, enhancing spectrum clarity and resolution. This application is crucial in structural elucidation and dynamics studies of complex organic molecules.

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