2/3-FEA Pellets 50mg/125mg

Name: 2/3-FEA Pellets 50mg/125mg
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Category: Research Chemicals

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Buy 2‑FEA / 3‑FEA Pellets 50mg / 125mg — Analytical Reference Standard

Buy 2‑FEA / 3‑FEA Pellets 50mg / 125mg are positional fluoro analogues of ethylamphetamine, used as reference standards to identify halogenated amphetamines in controlled‑substance testing.
The 50 mg and 125 mg pellet formats allow precise calibration of LC‑MS/MS, GC‑MS, or FTIR instrumentation during procedure validation and forensic toxicology.

Organic / Inorganic Chemistry – Buy 2‑FEA / 3‑FEA Pellets 50mg / 125mg Online

Property	2‑FEA / 3‑FEA
Molecular Formula	C₁₁H₁₆FN
Molecular Weight	181.25 g mol⁻¹
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
Chemical Class	Fluorinated phenethylamine (amphetamine analogue)
Functional Groups	Primary amine · Aromatic fluoride · Isopropyl alkanamine
Physical Form	Solid pellet (white or off‑white matrix)
Melting Point (HCl salt)	≈ 158 °C
Boiling Point (free base)	≈ 250 °C
Solubility	Ethanol and methanol miscible · partial aqueous solubility
Residual Metals (ICP‑MS)	< 0.001 % total inorganics
Storage	Desiccated, ≤ –20 °C, light‑protected.

Chemical Biology

Pharmacological Category: Stimulant amphetamines (serotonin and dopamine releasing agents).
Laboratory Purpose: Used as control standards for identification of fluoro‑substituted amphetamines in biological matrices (blood, urine, plasma).
Biotransformation Pathways: N‑deethylation → fluoroamphetamine metabolites; oxidative deamination and β‑hydroxylation; fluorine atom resists cleavage.
Biohazard Note: Toxic at sub‑milligram levels — research use only, within licensed facilities.

Computational Chemistry

Descriptor	2‑FEA	3‑FEA
Dipole Moment (D)**	2.63	2.55
HOMO–LUMO Gap (eV)**	5.8	5.81
Predicted log P	2.4	2.4
Amino Group pKa	≈ 9.8	≈ 9.9
Rotatable Bonds	4	4
TPSA (Å²)	32	32
Binding Energy (SERT model)	≈ –8.6 kcal/mol	≈ –8.7 kcal/mol
Computational Uses	Ligand–transporter interaction model training · Docking validation · ADME prediction.

(B3LYP/6‑31G* DFT optimizations with water PCM solvation)

Environmental Chemistry

Persistence: High due to C–F bond stability → low biodegradability.
Photolysis Half‑Life: ~ 7 h (280 nm).
Hydrolysis Rate: Negligible between pH 5–9.
Partition Coefficient (log Kow): 2.3 – 2.5.
Potential Transformation Products: Fluorophenylpropanone; carboxylic acid derivatives.
Environmentally Safe Destruction: High‑temperature incineration (≥ 1100 °C) or AOP (H₂O₂ + O₃).

Laboratory Equipment

Instrument	Analytical Use
GC–MS (EI)**	Base peaks at m/z 44 · 58 · 150 · 182 (M⁺).
LC–MS/MS (ESI⁺)**	[M + H]⁺ = 182 m/z; fragment m/z 164 and 135.
FTIR (ATR)**	C–F stretch ~ 1130 cm⁻¹; NH₂ stretch ~ 3310 cm⁻¹.
¹H NMR (CDCl₃)**	δ 7.0–7.3 (aromatic region), δ 2.8 (α‑CH), δ 1.10 (CH₃).
Chromatography Conditions**	C18 column · ACN/H₂O 70:30 v/v + 0.1 % formic acid; Rt ≈ 5 min.

Consumables & Reagents

LC‑MS‑grade methanol and acetonitrile.
PTFE syringe filters (0.22 µm).
Amber autosampler vials to avoid UV degradation.
Pipette tips with aerosol barriers.
PPE: nitrile gloves, goggles, lab coat, P3 respirator.

Regulation & Safety

Aspect	Specification
Legal Status	Controlled analogue of amphetamine (UN 1971 Psychotropic Substances) → Schedule I / Class A in many countries.
Authorized Use	Forensic standard research & analytical calibration only.
GHS Signal Word	Danger.
Hazard Codes	H301 · H311 · H331 (Toxic ingestion/inhalation/dermal).
Precautions	Process in fume hood · avoid vapors or aerosols · use chemical‑resistant PPE.
First Aid	Flush with water 15 min; remove contaminated clothing; medical attention required.
Waste Disposal	Collect as hazardous organic waste → incinerate via licensed contractor.

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 Weight	181.25	181.25
TPSA (Å²)	32	32
log P	2.4	2.4
Rotatable Bonds	4	4
QSAR Applications	Monoamine transporter binding models; fluorine‑substitution SAR datasets.
Database Cross‑Refs	CHEMINF Registry, PubChem Analog Sets, NIST Mass Spectral Archive.

Compliance and Ethical Statement

⚠️ Controlled‑Substance Notice
Both 2‑FEA and 3‑FEA are regulated fluoro‑amphetamines. Their manufacture, sale, import, or possession without explicit authorization is illegal in most jurisdictions.
This entry is provided solely for scientific education, forensic analysis, and regulatory reference; it must not be used for promotion or non‑research distribution.