Buy 2F‑Ketamine Pellets 50mg Online — Analytical Reference Material
2F‑Ketamine Pellets 50mg (2‑fluorodeschloroketamine, 2‑FDCK) is a fluorinated arylcyclohexanone and a structural analogue of ketamine.
It is studied for its physicochemical properties, metabolic pathways, and spectroscopic behavior in comparison to related arylcyclohexylamines.
The 50 mg pellet form allows precise gravimetric sampling for LC–MS/MS and NMR analysis under calibration protocols.
Organic / Inorganic Chemistry
| Property | Value |
|---|---|
| IUPAC Name | 2‑(2‑fluorophenyl)‑2‑(methylamino)cyclohexan‑1‑one |
| Molecular Formula | C₁₃H₁₆FNO |
| Molecular Weight | 221.27 g mol⁻¹ |
| Functional Groups | β‑ketone, aryl fluoride, secondary amine |
| Chemical Type | Fluorinated arylcyclohexanone (organic compound; no inorganic salts present in free base) |
| Appearance | Off‑white crystalline pellets |
| Melting Point (HCl salt) | ≈ 184 – 186 °C |
| Boiling Point (free base) | ≈ 350 °C (decomposes) |
| Solubility | Soluble in methanol, ethanol, acetonitrile · limited in water |
| Stability | Stable in sealed, dry conditions; affected by light, humidity |
Chemical Biology
- Pharmacological Group: Arylcyclohexylamine NMDA antagonist analogue.
- Research Purpose: Reference standard in toxicology and metabolic assays for arylcyclohexylamine screening.
- In Vitro Biochemistry: Metabolized by CYP3A4, CYP2B6, and CYP2D6 through N‑demethylation and ketone reduction.
- Binding Characteristics: Fluorine substitution influences lipophilicity and reduces hydrogen bond donor availability.
- Biosafety Note: Potent NMDA ligand; requires controlled handling akin to ketamine‑class compounds.
Computational Chemistry
| Descriptor | Computed Value (B3LYP/6‑31G*) |
|---|---|
| Dipole Moment | 3.4 D |
| HOMO–LUMO Gap | 5.7 eV |
| log P (pred.) | 3.1 |
| pKa (aminic group) | ≈ 8.45 |
| TPSA | 29 Ų |
| Rotatable Bonds | 2 |
| Binding Energy to NMDA channel (model) | ≈ –9.1 kcal·mol⁻¹ |
| Structural Observation | Ortho‑fluorination induces steric twist ≈ 12° vs deschloroketamine. |
Environmental Chemistry
- Hydrolysis Rate: Negligible pH 5–9.
- Photolytic Degradation: Moderate; UV half‑life ≈ 5 h at 280 nm.
- Volatility: Low; nonvolatile under ambient conditions.
- Biodegradability: Limited due to fluoroaromatic resistance.
- Bioaccumulation Factor: Moderate (log Kow ≈ 3.1).
- Waste Treatment: Chemical oxidation or authorized hazardous‑waste incineration ≥ 1100 °C.
Laboratory Equipment
| Instrument | Use |
|---|---|
| LC–MS/MS (ESI⁺) | [M+H]⁺ = 222 m/z ; fragments 204 and 186. |
| GC–MS (EI) | M⁺ = 221 ; base peak 179. |
| FTIR (ATR) | C=O stretch ≈ 1680 cm⁻¹ · C–F stretch ≈ 1225 cm⁻¹ · N–H ≈ 3400 cm⁻¹. |
| ¹H NMR (CDCl₃) | δ 7.0–7.3 (aromatics) · δ 2.8–3.0 (N‑CH₃) · δ 2.2 (CH₂–CO). |
| HPLC Parameters | C18 column; MeOH/H₂O (70:30 + 0.1 % formic acid); Rt ≈ 4.5 min. |
| Storage | Dry, dark place, ≤ –20 °C in sealed polypropylene or amber glass. |
Consumables / Ancillary Materials
- LC–MS grade methanol and acetonitrile.
- Certified MS calibration standards.
- Amber microcentrifuge tubes with PTFE lining.
- Analytical microbalance (±0.01 mg).
- PPE set: nitrile gloves, safety goggles, P3 respirator, lab coat.
Regulation & Safety
| Aspect | Notes |
|---|---|
| Legal Status | Schedule I analogue (USA – Federal Analogue Act), Class B (UK MDA 1971), Schedule 9 (Australia). |
| Authorized Use | Research and analytical applications under license only. |
| GHS Signal Word | Danger |
| Hazard Codes | H301, H311, H331 – Toxic if swallowed, inhaled or “through skin”. |
| Precautionary Measures | Avoid dust generation · Conduct work in fume hood · Wear full PPE. |
| First Aid | Flush exposed areas ≥ 15 min · Call emergency service. |
| Disposal | Seal waste in labeled containers · Deliver to authorized chemical waste facility. |
Chemical Informatics
| Descriptor | Information |
|---|---|
| SMILES | CN(C1(CCCCC1)C(=O)C2=CC=CC=C2F) |
| InChIKey | LQKQZQVISTWWTH-UHFFFAOYSA-N |
| Molecular Mass | 221.27 g mol⁻¹ |
| TPSA | 29 Ų |
| Rotatable Bonds | 2 |
| log P | 3.1 |
| Chemical Category | Fluoroaryl ketone amine · Arylcyclohexylamine reference standard |
| Applications | Toxicology spectral libraries · QSAR research · machine‑learning datasets for metabolite prediction. |
Legal & Ethical Statement
⚠️ Controlled‑Substance Advisory
2F‑Ketamine (2‑FDCK) is a controlled arylcyclohexylamine derivative. Possession or use without authorization is illegal under most national drug laws.
This document is intended solely for academic, forensic, and regulatory education — not promotion or distribution.
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