Ethyl-Pentedrone Crystal

Buy Ethyl‑Pentedrone Crystal Online — Analytical‑Grade β‑Keto Amine for Research and Computational Modelling

Overview

Buy Ethyl‑Pentedrone Crystal is a high‑purity β‑keto phenethylamine derivative, supplied exclusively for analytical, environmental, and computational chemistry studies.
Presented in a crystalline form to enhance stability and accurate weighing, it serves as a validated research standard for laboratory characterization, structure–function investigation, and advanced modelling of amine–carbonyl systems.

This material is intended for scientific and industrial R&D use only — not for human or veterinary application.

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Chemical Identity

• Chemical Class: Cathinone‑series β‑keto amine
• Core Framework: 2‑(ethylamino)‑1‑phenylpentan‑1‑one
• Molecular Formula: C₁₃H₁₉NO
• Molecular Weight: ≈ 205.30 g/mol
• Purity: ≥ 98% (HPLC and GC–MS verified)
• Physical State: Crystalline solid
• Appearance: White to off‑white crystalline lattice
• Packaging: Airtight amber glass vial, nitrogen‑flushed

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Applications Across Disciplines

Organic & Inorganic Chemistry

• Serves as a model β‑keto compound for exploring carbonyl–amine condensations, stereoelectronic substitution effects, and oxidation–reduction equilibria.
• Demonstrates functional versatility as a building block in heterocyclic synthesis and condensation reaction kinetics.
• Useful for spectroscopic calibration and method validation in FTIR (C=O stretch), ¹H/¹³C NMR, and GC–MS fragmentation studies.

The compound’s carbonyl and amino groups provide an excellent basis for comparative analysis in organometallic catalysis and transition‑metal coordination chemistry.

Chemical Biology

• Applied in metabolic pathway simulations and biotransformation research, particularly regarding amine oxidation and enzyme‑mediated hydrolysis.
• Reference model used in exploring xenobiotic metabolism, enzyme selectivity, and chirality‑linked metabolic rates.
• Useful as a bio‑substrate analog in enzymatic and receptor‑target binding simulations in in vitro pharmacokinetic modeling (under strictly research settings).

Computational Chemistry

• Common benchmark for DFT (Density Functional Theory) calculations and molecular orbital mapping.
• Supports electrostatic potential modeling, HOMO/LUMO energy gap estimation, and polar surface analysis.
• Serves as a dataset molecule for cheminformatics QSAR/QSPR modeling, feature extraction algorithms, and machine‑learning validation in quantum simulation environments.

Environmental Chemistry

• Employed in environmental fate modeling of nitrogen‑containing organics and partition coefficient (Kₒw, Kₒc) determination.
• Aids in studies assessing stability and degradation kinetics of substituted cathinone derivatives in soil and aquatic systems.
• Supports creation of mass‑spectral libraries for detecting emerging organic pollutants in environmental forensic research.

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Laboratory Equipment & Consumables

Recommended analytical setup for Ethyl‑Pentedrone Crystal:

• High‑precision microbalance (0.1 mg readability)
• HPLC or LC–MS/MS system for purity verification
• GC–MS with EI or CI source for fragmentation analysis
• FTIR and NMR spectrometers for structure confirmation
• Amber sample vials, desiccators, and PTFE‑lined caps to prevent contamination
• HPLC‑grade solvents — methanol, acetonitrile, DCM, ethanol
• PPE consumables: nitrile gloves, pipette tips, and safety goggles compatible with chemical analysis work

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Regulation & Safety

• Intended Use: For research, development, and analytical calibration purposes only.
• *Not authorized for medical, human, or dietary use.
• Status: May be regulated or scheduled under controlled‑substance legislation in certain regions; examine local laws before procurement.

GHS Hazard Statements (indicative):
⚠️ H302 – Harmful if swallowed
⚠️ H315 – Causes skin irritation
⚠️ H319 – Causes serious eye irritation
⚠️ H336 – May cause drowsiness or dizziness

Precautionary Guidelines:

• Employ standard laboratory safety protocols.
• Handle within fume hoods to prevent vapor exposure.
• Dispose via chemical waste management under EPA and REACH standards.
• Avoid release to waterways; refer to environmental containment procedures for nitrogenous organics.

Quality & Compliance:

• Distributed under ISO 9001:2015‑certified manufacturing processes.
• Each batch includes Safety Data Sheet (SDS) and Certificate of Analysis (CoA) for traceability.
• Compliance with REACH / CLP / GHS safety documentation standards ensured.

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Chemical Informatics & Data Integration

• Metadata files available: SMILES | InChI | InChI Key | Synonym Index | CAS equivalent reference* (where permitted).
• Compatible with RDKit, ChemAxon Marvin, KNIME, and OpenBabel platforms.
• Integrates seamlessly into Electronics Laboratory Notebooks (ELN) and Laboratory Information Management Systems (LIMS).
• Structured descriptive data suitable for cheminformatics modeling, AI‑driven compound libraries, and predictive analytics pipelines.

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Analytical Verification & Quality Assurance

• GC–MS & HPLC chromatographic confirmation (retention, purity)
• ¹H / ¹³C NMR for spectral fingerprint validation
• FTIR carbonyl profile and functional group matching
• Thermogravimetric Analysis (TGA) for thermal profile
• Elemental analysis and micro‑crystal morphological imaging

Batch control ensures < 2% variance per analytical standard for reproducibility across research applications.

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Storage & Stability

• Store sealed in cool, dry, and dark conditions (15–25 °C).
• Protect from moisture, heat, and ultraviolet light.
• Recommended: desiccated environment or inert gas flushing.
• Shelf life: 24 months under optimal laboratory preservation.

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SEO Keywords (Optimized)

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