DMXE Powder

Buy DMXE Powder Online — High‑Purity Arylcyclohexylamine Analytical Standard for Research

Overview

Buy DMXE Powder (3‑Methoxy‑2’‑oxo‑PCM) is a research‑grade arylcyclohexylamine derivative synthesized for analytical chemistry, molecular modeling, and environmental fate studies.
This substance is supplied as a fine crystalline powder, optimized for reproducible analytical performance, spectroscopic calibration, and computational modeling applications.
It is intended solely for laboratory experimentation under regulated conditions — not for human or animal use.

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Chemical Identity

• Chemical Class: Arylcyclohexylamine (organic ketone–amine derivative)
• Representative Structural Formula: C14H21NO2
• Molecular Weight: ≈ 235.32 g/mol
• Purity: ≥ 98% (confirmed by HPLC and GC–MS)
• Physical State: Crystalline fine powder
• Appearance: White or slightly off‑white
• Packaging: Airtight amber vial with nitrogen protection
• Analytical Grade: ISO certified, low moisture (< 0.1%)

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Applications Across Chemistry Disciplines

Organic & Inorganic Chemistry

• Benchmark molecule for exploring carbonyl–amine reactivity, ketone reduction, and aryl substitution mechanisms.
• Employed in organic synthesis and materials chemistry for modeling enolate reactivity and intramolecular hydrogen interactions.
• Used as a standard compound for chromatographic retention and NMR spectral comparison.
• In inorganic research, functions as a reference base for metal‑ligand interactions involving oxygen and nitrogen coordination sites.

Chemical Biology

• Aids in non‑biological enzyme simulation models of oxidative metabolism (e.g., O‑demethylation and N‑oxidation).
• Enables partition‑coefficient (log P) and membrane permeability prediction in pre‑formulation or biochemical transport modeling.
• Supports biotransformation Simulation (computational) in enzyme kinetics databases and toxicological prediction systems.
• Facilitates spectral biomarker calibration for studies of amine oxidation products.

Computational Chemistry

• Frequently used in DFT (Density Functional Theory) and Hartree–Fock calculations for structure optimization.
• Serves as a test compound for energy‑surface mapping, HOMO/LUMO energy analysis, and dipole moment projections.
• Incorporated in molecular docking, machine learning, and QSAR/QSPR datasets as a model for arylalkylamine electron distribution.
• Ideal for conformational analysis, vibrational frequency prediction, and electronic resonance study.

Environmental Chemistry

• Utilized for the study of persistence and degradation kinetics of complex aryl‑nitrogen organics.
• Helps evaluate biodegradability, aqueous solubility, and adsorption onto soil matter (K oc values).
• Contributes to LC–MS/MS pollutant screening calibration and metabolite trace detection in environmental monitoring systems.
• Supports risk assessment modeling of amino‑ketone organic pollutants under REACH/CLP frameworks.

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Laboratory Equipment & Consumables

To ensure exact data acquisition, recommended equipment includes:

• Analytical microbalance (0.1 mg precision)
• High‑performance liquid chromatography (HPLC or LC–MS/MS) system
• Fourier transform infrared (FTIR) spectrometer for C=O stretch characterization
• ¹H and ¹³C NMR spectrometers (400+ MHz)
• UV‑Vis spectrophotometer for solubility and absorbance profiling
• Desiccators, PTFE‑sealed vials, powder spatulas, and inert atmospheres (N₂/Ar) for sample handling
• HPLC‑grade solvents: methanol, acetonitrile, ethanol, DCM

Consumables must comply with ISO 17025 laboratory accreditation standards.

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Regulation & Safety

• Use: Scientific and analytical research only. Not for human or veterinary application.
• Controlled Status: Check local legislation; DMXE and related arylcyclohexylamines may fall under chemical control frameworks.
• Documentation: Delivered with Safety Data Sheet (SDS) and Certificate of Analysis (CoA).
• Production Compliance: ISO 9001:2015‑certified facility, traceable batch documentation.

Indicative Global Harmonized System (GHS) Classifications:
⚠️ Acutely toxic if swallowed or inhaled
⚠️ Causes skin and eye irritation
⚠️ May cause target organ effects through repeated exposure
⚠️ Harmful to aquatic life with long‑lasting effects

Precautionary Guidelines:

• Operate within fume hoods under inert atmosphere.
• Use laboratory gloves, goggles, and lab coat.
• Avoid generation of dust or aerosols.
• Dispose of residues via hazardous waste systems under EPA / REACH / CLP and local environmental protocols.

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Chemical Informatics & Data Integration

• Provides SMILES, InChI, InChI Key, and molecular descriptor files for database accuracy.
• Compatible with cheminformatics and analytics software including RDKit, ChemAxon Marvin, Knime, and OpenBabel.
• Structured datasets suitable for QSAR, machine learning, pharmacophore modeling, and virtual screening workflows.
• Metadata formatted for LIMS, ELN, and high‑throughput screening informatics systems.

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Analytical Characterization & Quality Control

• Purity: ≥ 98% (HPLC, retention index verified)
• FTIR & NMR confirmation: Matching spectral fingerprint across batches
• Mass spectrometry: Molecular ion consistency ± 0.002 m/z tolerance
• DSC/TGA: Stability analysis for melting point and decomposition onset
• Moisture analysis: < 0.1 % (Karl Fischer validated)

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Storage & Stability

• Store in tightly sealed vial below 25 °C, shielded from light and moisture.
• Desiccated, inert gas (N₂) atmosphere recommended.
• Shelf life: 24 months under quality‑controlled storage conditions.

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SEO Keywords (Optimized)

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