3-FEA Powder

€28

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Buy 3‑FEA Powder Online — Analytical Reference Standard

3‑Fluoroethylamphetamine (Buy 3‑FEA Powder) is a fluorinated amphetamine analogue within the phenethylamine family.
It is primarily used as a reference compound in forensic toxicology, mass‑spectrometry method validation, and QSAR studies exploring halogen effects on aromatic substitution.

Powder form is ideal for precise dispensing, sample spiking, and chromatographic/resolution studies in controlled environments.

Organic / Inorganic Chemistry

Property	Description
IUPAC Name	1‑(3‑fluorophenyl)‑2‑ethylaminopropane
Molecular Formula	C₁₁H₁₆FN
Molecular Weight	181.25 g mol⁻¹
Chemical Class	Fluorinated amphetamine
Functional Groups	Secondary amine, aromatic fluoro, alkyl side chain
Physical Form	White/off‑white crystalline powder
Melting Point (HCl)	≈ 163 – 166 °C
Solubility	Methanol, ethanol, acetonitrile (scores high in polar organic solvents); limited water solubility.
Stability	Stable under dry, dark storage; oxidatively labile in strong UV.
Boiling Point (free base)	≈ 228 °C (decomp.)

Chemical Biology

Biochemical Class: Amphetamine‑type amine (ATA) reference compound.
Applications: Forensic mass spectral comparison, transport mechanism studies, and in vitro enzyme screening.
In Vitro Data: Moderate monoamine releasing activity; affinity trend ≈ NE > DA > 5‑HT (cell culture only).
Metabolic Pathways: N‑dealkylation, β‑hydroxylation, benzyl hydroxylation, fluoroaromatic oxidation, phase II conjugation (UGT isoform dependent).
Biological Degradation: Fluorine atom confers oxidation stability, reducing phase I turnover rate.

Computational Chemistry

Descriptor	Predicted Value (B3LYP/6‑31G*)
Dipole Moment	2.82 D
HOMO–LUMO Gap	6.3 eV
log P (pred.)	2.9
pKa (amine)	9.6
TPSA	26 Å²
Rotatable Bonds	4
Docking E₍DAT₎	~ –8.4 kcal mol⁻¹
Interpretation: Meta‑fluoro substitution increases lipophilic pocket interaction and reduces oxidative susceptibility.

Environmental Chemistry

Aqueous Stability: Persistent under neutral pH; slow hydrolysis in acidic conditions.
Photodegradation: Moderate rate under 280–320 nm UV.
Biodegradability: Limited; fluorine resists microbial defluorination.
Partition Coefficient: log Kow ≈ 2.9 → moderate bioaccumulation potential.
Waste Treatment: Chemical oxidation (Fenton reaction or NaOCl) followed by incineration > 1100 °C.
Hazard: Do not allow to enter wastewater systems. Classify as acute aquatic toxicant.

Laboratory Equipment

Instrument	Analytical Purpose
LC–MS/MS	[M+H]⁺ = 182 m/z; major fragments 164 m/z, 135 m/z.
GC–MS (EI)	M⁺ = 181 m/z; base peak 44 (methylamine fragment).
FTIR	Characteristic bands: N–H = 3310 cm⁻¹, C–F = 1220 cm⁻¹, C–N = 1145 cm⁻¹.
¹H NMR (400 MHz)	δ 7.0–7.4 (aromatic H), 2.6–3.1 (C–N protons).
Elemental Analysis	C 73–74 %; H 9 %; N 7 %; F 10 %.
Storage Conditions	–20 °C, dry, light‑protected, nitrogen‑flushed container.

Consumables

LC–MS‑grade methanol, acetonitrile, and formic acid.
Analytical micro‑pipettes and polypropylene autosampler vials (amber).
Antistatic weighing boats and conductive spatulas.
PPE: lab coat, nitrile gloves, safety glasses, and respiratory mask if powder form handled in open environment.

Regulation & Safety

Aspect	Information
Control Status	Schedule I (US Analogue Act) • Class B (UK MDA 1971) • Schedule 9 (Australia).
Usage Authorization	Restricted to licensed toxicology and analytical facilities.
GHS Classification	Acute Toxicant Category 3 (Oral, Dermal, Inhalation); Aquatic Chronic Cat. 3.
GHS Signal Word	Danger
Hazard Phrases	H301 Toxic if swallowed • H311 Toxic in contact with skin • H331 Toxic if inhaled.
Precautions	Handle within fume hood; avoid inhalation and skin contact.
First Aid	Flush affected areas ≥ 15 min and seek medical care.
Waste Disposal	Collect in sealed containers for authorized incineration.

Chemical Informatics

Field	Data
SMILES	`CCC(CC1=CC(=CC=C1)F)N`
InChIKey	`AGILHNVVIACBEN‑UHFFFAOYSA‑N`
Formula Mass	181.25 g mol⁻¹
TPSA	26 Å²
log P	2.9
Rotatable Bonds	4
CAS Number	Not officially assigned (common research identifier placeholder).
Primary Use	Forensic standard and computational reference in halogenated amphetamine SAR datasets.

Ethical and Legal Notice

⚠️ Controlled Chemical Statement
3‑Fluoroethylamphetamine is a controlled amphetamine‑type stimulant. All handling, storage, and analysis must occur under appropriate licenses and legal authorization.
This document is for scientific reference and cataloguing purposes only and must not be interpreted as sales advertising or promotional content.