2-FEA Powder

€16

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Buy 2‑FEA Powder Online — Analytical Reference Material

Buy 2‑FEA Powder (2‑fluoroethylamphetamine) is a fluoro‑substituted phenethylamine similar in structure to amphetamine. It is principally employed as a forensic calibration standard and a computational reference compound for studying fluorine substituents in monoaminergic ligands.

In laboratories, the fine powder form facilitates accurate mass and solution standard preparation for high‑resolution spectroscopic analyses.

Organic / Inorganic Chemistry

Property	Specification
IUPAC Name	1‑phenyl‑2‑(2‑fluoroethyl)propan‑2‑amine
Formula	C₁₁H₁₆FN
Molecular Mass	181.25 g mol⁻¹
Chemical Class	Fluoro‑phenethylamine (secondary amine)
Physical Appearance	White to off‑white microcrystalline powder
Functional Groups	Aromatic ring, secondary amine, fluoro‑alkyl chain
pKa (amine)	9.6
log P (pred.)	2.4
Boiling Point	≈ 238 °C (base form)
Melting Point	≈ 169 °C
Storage Conditions	≤ –20 °C; low humidity; light protected
Purity Specification	≥ 98 % (by HPLC MS confirmation)

Chemical Biology

Functional Category: Monoamine releasing agent (reference compound).
Target Systems: Dopamine and norepinephrine transporters.
Scientific Interest: Analysis of fluorine‑induced changes in lipophilicity and receptor binding efficiency relative to amphetamine standards.
Metabolic Pathways (in vitro): N‑dealkylation → oxidative deamination → fluoroacetone/benzoic acid metabolites.
Laboratory Applications: Quantitation reference for LC–MS/MS toxicology libraries and QSAR dataset validation.
Toxicological Note: CNS stimulant — handle under BSL‑2 laboratory conditions.

Computational Chemistry

Descriptor	B3LYP/6‑31G* Calculation
Dipole Moment	2.90 Debye
HOMO − LUMO Gap	5.67 eV
Rotatable Bonds	4
H‑Bond Donors / Acceptors	1 / 2
Molecular Surface Area (TPSA)**	29 Å²
log P (calc.)	2.4
Binding Energy (DAT)**	–8.8 kcal mol⁻¹
Binding Energy (NET)**	–8.5 kcal mol⁻¹
Computational Use	Ligand parameter in fluoroamphetamine QSAR modelling libraries.

Environmental Chemistry

Form: Low‑volatility organic solid.
Water Solubility: Moderate; hydrophobic partitioning dominant.
Hydrolysis Stability: Stable from pH 4–9.
Photolysis: Half‑life ≈ 5 h under UV‑A radiation.
Partition Coefficient (log Kow): 2.4 — low bioaccumulation potential.
Persistence: Moderately persistent in soil due to fluorine content.
Degradation Products: Fluorinated benzoic acids and N‑oxides.
Recommended Disposal: Chemical oxidation (H₂O₂/UV process) or high‑temperature incineration (≥ 1100 °C).

Laboratory Equipment

Instrument	Analytical Function
GC–MS (EI)	Molecular ion 181 m/z; base fragment 44 m/z.
LC–MS/MS (ESI⁺)	[M + H]⁺ = 182 m/z → product ion 163 m/z.
FTIR (ATR)	Distinct bands: C–F stretch ~1100 cm⁻¹; N–H stretch 3300 cm⁻¹.
¹H NMR (CDCl₃)	δ 7.1–7.3 (aromatic H), 2.7 (N‑CH₃), 3.8 (C–H₂–F), 1.2 (CH₃).
HPLC Conditions	C18 column; mobile phase ACN:H₂O (60:40 + 0.1 % formic acid); Rt ≈ 4 min.

Laboratory Consumables

LC–MS grade acetonitrile and methanol.
Amber PTFE‑lined autosampler vials (2 mL).
0.22 µm PTFE syringe filters.
Analytical‑balance spatulas, micro‑scoops.
Class A volumetric flasks (10 mL + 50 mL).
PPE: nitrile gloves, protective coat, sealed eye protection, P3 respirator.
Absorbent pads and toxic waste containers for disposal.

Regulation & Safety

Aspect	Information
Legal Status	Controlled psychoactive substance (analogue of amphetamine) — Schedule I / Class A status in most jurisdictions.
Authorized Use	Licensed chemical, forensic, and research facilities only.
GHS Signal Word	Danger
Hazard Codes	H301, H311, H331 — Toxic if swallowed, inhaled, or contact with skin.
Precautionary Statements	P260, P280 — Avoid inhalation, use protective equipment.
First Aid	Seek immediate medical attention after exposure.
Storage Class	6.1B Toxic Solids (according to TRGS 510).
Waste Disposal	Transfer to licensed hazardous waste facility for incineration.

Chemical Informatics

Field	Data
SMILES	`CC(CC1=CC=CC=C1)NCCF`
InChIKey	`RUKYIUGPPPSKQK‑UHFFFAOYSA‑N`
Molecular Mass	181.25 g mol⁻¹
TPSA	29 Å²
log P (calc.)	2.4
Rotatable Bonds	4
Database Cross‑References	ChemSpider ID 55289273 · PubChem CID 160551097
QSAR Role	Fluoroalkyl analogue for neuroactive phenethylamine set training.

Compliance Notice

⚠️ Controlled‑Substance Advisory
2‑Fluoroethylamphetamine and its salts are subject to national and international drug control laws (Schedule I / Class A equivalents).
Handling outside licensed scientific environments is prohibited.
Information presented here is strictly for scientific and regulatory reference, not for promotion or sale.