2/3-FEA Pellets 40mg/120mg

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2‑FEA / 3‑FEA Pellets 40mg / 120mg  — Analytical Reference Standard

2‑FEA / 3‑FEA Pellets 40mg / 120mg are fluoro‑substituted amphetamines, positional isomers of fluoroethylamphetamine differing by fluorine atom placement at the ortho (2‑) or meta (3‑) position of the phenyl ring.
They serve as reference compounds for chromatographic and spectroscopic identification of novel psychoactive substances (NPS) in seized‑drug or toxicological analysis.
Pelletized forms (40 mg and 120 mg) are used to standardize detection thresholds and validate method sensitivity.

Organic / Inorganic Chemistry

Property	Data
IUPAC Name (2‑FEA)	1‑(2‑fluorophenyl)‑N‑ethyl‑2‑propan‑2‑amine
IUPAC Name (3‑FEA)	1‑(3‑fluorophenyl)‑N‑ethyl‑2‑propan‑2‑amine
Molecular Formula	C₁₁H₁₆FN
Molecular Weight	181.25 g mol⁻¹
Chemical Class	Fluoroamphetamine derivatives, aryl‑ethylamines
Functional Groups	Primary amine · aromatic fluoride · secondary alkyl
Physical Form	Pelletized solid (white to off‑white)
Boiling Point	≈ 250 °C (free base)
Melting Point (HCl salt)	≈ 158 °C
Solubility	Freely soluble in ethanol and methanol, moderately in water
Inorganic Residue	< 0.001 % trace metals (ICP‑MS certified)

Chemical Biology

Pharmacological Class: Substituted amphetamine analogue (stimulant).
Use in Research: Reference analyte for detecting fluoro‑amphetamines and validating metabolite libraries.
Mode of Action (in vitro): Monoamine transporter substrate and releasing agent (5‑HT, DA, NE pathways).
Metabolic Pathways: Oxidative deamination via MAO · hydroxylation and fluorine retention on phenyl ring · N‑dealkylation producing fluoroamphetamine metabolites.
Toxicological Notes: High pharmacodynamic potency · used only in trace quantities for analytical calibration.

Computational Chemistry

Descriptor	Value (DFT B3LYP / 6‑31G*)
Dipole Moment	2.65 D (2‑FEA) · 2.58 D (3‑FEA)
HOMO–LUMO Gap	5.82 eV
Predicted log P	2.4
Amino Group pKa	≈ 9.9
Topological Polar Surface Area	32 Å²
Rotatable Bonds	4
Conformational Feature	Fluorine substitution alters phenyl torsion angle (~ 30° for 2‑FEA · 22° for 3‑FEA).
Binding Energy (SERT model)**	–8.7 kcal·mol⁻¹ (avg.)
Computational Use**	QSAR, drug‑transporter interaction and metabolic rate prediction validation.

Environmental Chemistry

Stability: Chemically stable at ambient conditions; sensitive to UV oxidation.
Photolysis: Fluoro substitution reduces photo‑oxidative degradation rate (~ half‑life 7 h at 280 nm).
Hydrolysis: Minimal degradation across pH 5–9.
Persistence: Moderate due to C–F bond stability.
Partition Coefficient (log Kow): 2.4 → moderate bioaccumulation risk.
Decomposition: Controlled incineration (> 1100 °C) recommended to cleave C–F bond safely.

Laboratory Equipment

Instrument	Analytical Purpose
GC–MS (EI)	Diagnostic ions m/z 44, 58, 150 (base peak depends on isomer).
LC–MS/MS (ESI⁺)	[M+H]⁺ = 182 m/z · Fragments 164, 135.
FTIR (ATR)	N–H stretch 3315 cm⁻¹ · C–F stretch ~ 1130 cm⁻¹ · Aromatic C–H ~ 3030 cm⁻¹.
¹H NMR (CDCl₃)	δ 7.0–7.3 (aromatic) · δ 2.8 (Cα‑H), δ 1.1 (CH₃).
Chromatography	C18 reversed phase · Mobile phase: MeOH/H₂O 70:30 + 0.1 % formic acid.
Storage	≤ –20 °C · sealed in light‑resistant container.

Consumables / Reagents

LC–MS‑grade acetonitrile and methanol.
PTFE filtration membranes (0.22 µm).
Analytical balance ± 0.01 mg.
Certified amphetamines calibration mixes.
PPE: nitrile gloves, lab coat, goggles, P3 respirator.

Regulation & Safety

Aspect	Specification
Legal Status	Schedule I / Class A (analogue of amphetamines controlled under UN 1971 Convention).
Authorized Use	Analytical & forensic research in licensed facilities only.
GHS Signal Word	Danger
Hazard Codes	H301, H311, H331 – Toxic if swallowed/inhaled/through skin.
Precautions	Use biosafety cabinet or fume hood · avoid skin contact and aerosol formation.
First Aid	Flush exposure area ≥ 15 min; seek medical attention immediately .
Waste Disposal	Hazardous organic waste → licensed incineration.

Chemical Informatics

Descriptor	2‑FEA	3‑FEA
SMILES	`CCNCC(C)C1=CC=CC=C1F`	`CCNCC(C)C1=CC(F)=CC=C1`
InChIKey	`MLPCFPQSSXLNHJ-UHFFFAOYSA-N`	`BMXRPFKDDIXLCN-UHFFFAOYSA-N`
Molecular Mass	181.25	181.25
Polar Surface Area (Å²)	32	32
log P	2.4	2.4
Rotatable Bonds	4	4
QSAR Applications	Transporter substrate models · lipophilicity prediction datasets.
Integration	Forensic toxicology spectral databases · chemoinformatics registries.

Compliance and Ethical Statement

⚠️ Controlled‑Substance Notice
Fluoroethylamphetamine (2‑FEA and 3‑FEA) is classified as a controlled stimulant analogue. Its manufacture, possession, transport, or analysis requires explicit government authorization.
The information presented here is for scientific documentation and regulatory reference only — not for marketing or promotion of use.