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N'-Methyl-4-nitrophenylene-1,2-diamine-[d3]

General Information
Catalog: BLP-004865
CAS: 1246816-48-7
Molecular Formula: C7H6D3N3O2
Molecular Weight: 170.18
Chemical Structure
N'-Methyl-4-nitrophenylene-1,2-diamine-[d3]
Synonyms N'-Methyl-4-nitrophenylene-1,2-diamine D3; N1-Methyl-4-nitro-1,2-benzenediamine-d3; N1-Methyl-4-nitro-o-phenylenediamine-d3; 2-Methylamino-5-nitroaniline-d3
IUPAC Name 4-nitro-1-N-(trideuteriomethyl)benzene-1,2-diamine
Related CAS 41939-61-1 (unlabelled)
Canonical SMILES CNC1=C(C=C(C=C1)[N+](=O)[O-])N
InChI InChI=1S/C7H9N3O2/c1-9-7-3-2-5(10(11)12)4-6(7)8/h2-4,9H,8H2,1H3/i1D3
InChI Key MNIKERWISBANET-FIBGUPNXSA-N
Solubility Soluble in Chloroform, Dichloromethane, Methanol
Appearance Brown Solid

N'-Methyl-4-nitrophenylene-1,2-diamine-[d3] is a deuterated chemical compound often used as a tracer or reference standard in various scientific analyses. Here are some key applications of N'-Methyl-4-nitrophenylene-1,2-diamine-[d3]:

Analytical Chemistry: In analytical chemistry, N'-Methyl-4-nitrophenylene-1,2-diamine-[d3] is used as an internal standard in mass spectrometry to ensure accuracy and precision in quantification. Its isotopic labeling allows for differentiation from non-deuterated compounds, providing reliable reference points during analysis. This makes it particularly useful in complex sample matrices where precise measurement is critical.

Pharmaceutical Development: This compound is employed in the pharmaceutical industry, primarily in DMPK (Drug Metabolism and Pharmacokinetics) studies. By incorporating N'-Methyl-4-nitrophenylene-1,2-diamine-[d3] into drug formulations, researchers can trace the absorption, distribution, metabolism, and excretion of drug candidates. This information is crucial for understanding pharmacokinetics and optimizing drug formulation and dosing.

Material Science: In material science, N'-Methyl-4-nitrophenylene-1,2-diamine-[d3] is used in the synthesis and characterization of novel polymers and materials. Deuterated compounds can help determine structural properties and reaction pathways through techniques like neutron scattering. This aids in developing materials with specific properties for industrial or technological applications.

Environmental Testing: N'-Methyl-4-nitrophenylene-1,2-diamine-[d3] is also used in environmental studies to track pollutants or chemical transformation products. Its stable isotopic labeling enhances sensitivity and specificity in detecting low concentration compounds in environmental samples. This helps in assessing ecological impacts and human exposure risks, informing regulatory and remediation efforts.

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