2F-Ketamine Pellets 100mg

Name: 2F-Ketamine Pellets 100mg
SKU: 124
Availability: InStock

€5

Price is per Pellet

Category: Research Chemicals

Description
Reviews (0)

Buy 2F‑Ketamine Pellets 100mg Online — Analytical Reference Standard

Buy 2F‑Ketamine Pellets 100mg (2‑fluorodeschloroketamine, often abbreviated 2‑FDCK) is a fluorinated arylcyclohexanone closely related to ketamine.
It serves as a calibration standard in spectroscopic and chromatographic analysis for arylcyclohexylamines.

The pellet (100 mg) form is used for precisely weighed sample preparations in LC–MS/MS, FTIR, and NMR validation.

Organic / Inorganic Chemistry

Property	Information
IUPAC Name	2‑(2‑fluorophenyl)‑2‑(methylamino)cyclohexan‑1‑one
Molecular Formula	C₁₃H₁₆FNO
Molecular Weight	221.27 g mol⁻¹
Chemical Class	Arylcyclohexylamine · Ketone derivative
Functional Groups	β‑ketone, secondary amine, aryl fluoride
Physical State	Solid pellets, off‑white, crystalline
Melting Point (HCl salt)	≈ 184–186 °C
Solubility	Freely soluble in ethanol and acetonitrile; low in water
pKa (amine)	≈ 8.5
log P	≈ 3.1 (moderate lipophilicity)

Chemical Biology

Class: NMDA receptor antagonist analogue analyzed for neuroreceptor binding studies.
Research Role: Reference substrate in CYP450 enzyme assays and SAR (SAR comparisons with ketamine and DXE).
Metabolism (in vitro): N‑demethylation → 2F‑norketamine; reductive hydroxylation at carbonyl site.
Experimental Findings: Fluoro substitution at ortho position shifts oxidation kinetics and increases stability vs deschloro analogues.
Toxicology Use: Sample standard for LC–MS detection limits under controlled testing.

 Computational Chemistry

Parameter	Value
*Dipole Moment (B3LYP/6‑31G)**	3.43 D
HOMO–LUMO Gap	5.7 eV
Molecular Surface Area	357 Å²
Topological Polar Surface Area (TPSA)	29 Å²
Rotatable Bonds	2
Conformer Stability	Twisted cyclohexanone ring due to aryl fluoro steric effect.
Predicted Binding Energy (NMDA site, docking)	≈ –9.2 kcal·mol⁻¹
Interpretation: Ortho‑fluoro attachment alters hydrogen bond acceptor geometry vs ketamine baseline.

Environmental Chemistry

Hydrolysis: Stable (0–7 pH); slow decomposition alkaline > pH 9.
Photostability: Fluoro aromatic ring reduces UV degradation rate.
Biodegradability: Poor — expected persistence in soils and aqueous matrices.
Partition Coefficient: log Kow ∼ 3.1 ⇒ moderate bioaccumulation potential.
Environmental Mitigation: Treat via oxidative methods (e.g., Fenton process) → authorized high‑temp incineration (> 1100 °C).

Laboratory Equipment

Instrument	Analytical Application
LC–MS/MS (ESI⁺)	[M+H]⁺ = 222 m/z · Major fragments 204, 186.
GC–MS (EI)	M⁺ = 221 · Base peak 179.
FTIR (ATR)	C=O stretch 1680 cm⁻¹; C–F stretch 1225 cm⁻¹.
¹H NMR (CDCl₃)	δ 7.0–7.4 (aromatic H); δ 2.9 (N‑CH₃).
HPLC Retention Time	≈ 4.5 min (C18, MeOH/H₂O 70:30 + 0.1 % formic acid).
Storage: Dry, ≤ –20 °C, amber container, low humidity.

Consumables / Laboratory Supplies

LC–MS grade solvents (methanol, acetonitrile).
Analytical pipette tips, weighing boats, and amber microvials.
Certified reference standards for MS calibration.
Personal protective equipment (P3 mask, eye protection, lab coat, nitrile gloves).
Desiccant and vacuum storage for microgram precision work.

Regulation & Safety

Aspect	Information
Controlled Status	Schedule I Analogue (US Federal Analogue Act); Class B (UK MDA 1971); Schedule 9 (Australia).
Allowed Use	Authorized for forensic and analytical laboratories only.
GHS Signal Word	Danger
Hazard Codes	H301, H311, H331 — Toxic by oral, skin, or inhalation routes.
Risk Mitigation	Work in fume hood · Avoid dust/aerosol formation · Use sealed pellet dispensers.
Emergency Measures	Flush exposure area ≥ 15 min; seek medical care immediately.
Waste Handling	Collect in labeled hazard container → approved incineration.

Chemical Informatics

Descriptor	Value
SMILES	`CN(C1(CCCCC1)C(=O)C2=CC=CC=C2F)`
InChIKey	`LQKQZQVISTWWTH-UHFFFAOYSA-N`
Molecular Mass	221.27 g·mol⁻¹
Formal Charge	0
TPSA	29 Å²
Rotatable Bonds	2
log P	3.1
QSAR Use	Benchmark compound for ADMET comparisons and spectral fingerprinting.

Legal & Ethical Statement

⚠️ Controlled‑Substance Notice
2F‑Ketamine is a regulated dissociative analogue of ketamine. All usage, possession, or distribution requires appropriate licensing under national and international law.
This profile is intended solely for scientific documentation, regulatory training, and educational purposes — not for promotion or unauthorized supply.