3-MEC Powder

€16

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Buy 3‑MEC Powder Online — Analytical Reference Material

Buy 3‑MEC powder is a β‑keto analog of 3‑methylmethcathinone (3‑MMC) and a derivative of cathinone, differing by N‑ethyl substitution.
It is primarily studied as part of forensic drug profiling, toxicology, and SAR (structure–activity relationship) work comparing substituted cathinones.

Organic / Inorganic Chemistry

Property	Information
IUPAC Name	2‑ethylamino‑1‑(3‑methylphenyl)‑1‑propanone
Molecular Formula	C₁₂H₁₇NO
Molecular Weight	191.27 g · mol⁻¹
Chemical Class	β‑keto phenethylamine (cathinone derivative)
Functional Groups	Ketone, secondary amine, aromatic ring
Physical Form	Off‑white to beige crystalline powder (HCl salt)
Melting Point	≈ 171–174 °C (HCl form)
Solubility	Freely soluble in polar solvents (water, ethanol, methanol).
Stability	Stable under dry dark storage; oxidatively sensitive to light/air.

Chemical Biology

Mechanistic Class: Monoamine transporter substrate / releaser (stimulant profile).
Primary Targets: Dopamine (DAT), norepinephrine (NET), and serotonin (SERT) transporters.
Research Use: Forensic standard for LC–MS screening of synthetic cathinones.
Metabolism (in vitro): N‑deethylation → 3‑methylcathinone, reduction of β‑ketone → alcohol metabolite, followed by conjugation.
Comparative SAR: N‑ethyl substitution increases lipophilicity, reduces SERT/DAT selectivity, and modifies duration of action in receptor assays.

Computational Chemistry

(DFT B3LYP/6‑31G* level and docking predictor summaries)

Descriptor	Value / Comment
Dipole Moment	3.12 D
HOMO–LUMO Gap	6.6 eV
log P (pred.)	2.8 – 3.0
pKa (amine)	9.7
TPSA	37 Å²
Rotatable Bonds	4
Docking Energy (DAT)	≈ –9.2 kcal · mol⁻¹
Notes: The β‑carbonyl Ketone reduces planarity vs. amphetamine analogs and shift electronic density toward the amine, consistent with reduced basicity a

Environmental Chemistry

Hydrolysis: Low in neutral pH, moderate in acid or base conditions.
Photolysis: Ketone oxidation leads to benzoic acid and amine‑oxide products.
Biodegradation: Readily degraded under aerobic conditions by amine‑oxidizing bacteria.
Bioaccumulation Potential: Low (log Kow ≈ 3).
Waste Treatment: Neutralize and oxidize under controlled conditions, or send for licensed incineration (> 1100 °C).

Laboratory Equipment

Instrument	Analytical Use
GC–MS (EI 70 eV)	M⁺ = 191 m/z; fragments 43, 58, 91 (tropylium ion).
LC–MS/MS	[M+H]⁺ = 192 m/z; predominant fragments 174 and 145 m/z.
FTIR (ATR)	β‑carbonyl ≈ 1690 cm⁻¹, N–H stretch ≈ 3360 cm⁻¹, Aromatic C–H ≈ 3040 cm⁻¹.
¹H‑NMR (400 MHz)	δ 7.2 (Ar H), 3.7 (CH₂–N), 2.8 (CH–CO), 1.1 (CH₃).
Storage	Cool (≤ –20 °C), dry, dark, airtight container.

Consumables

LC–MS/HPLC grade methanol and acetonitrile.
Formic acid (0.1 %) for mobile phase acidification.
PTFE‑lined autosampler vials.
Nitrile gloves, lab coats, goggles.
Certified micro‑spatulas and analytical balances (± 0.1 mg).

Regulation & Safety

Aspect	Information
Controlled Status	Schedule I (US DEA), Class B/A (UK Misuse of Drugs Act), controlled under EU Council Decision 2008/206/JHA.
Permitted Use	Authorized for analytical and toxicological reference by licensed institutions only.
GHS Classification	Acute Toxicity (Category 2/3); Specific Target Organ Toxicity (Category 1).
Signal Word	Danger
Hazard Statements	H301: Toxic if swallowed • H331: Toxic if inhaled • H370: Causes organ damage.
Precautionary Measures	Use in fume hood; avoid dust generation; keep securely locked storage.
First‑Aid Response	Flush affected area with water 15 min; seek medical attention immediately.
Disposal	Collect in labelled secondary amine waste container; submit for licensed disposal.

Chemical Informatics

Field	Data
SMILES	`CCNC(C)C(=O)C1=CC(=CC=C1)C`
InChIKey	`OVWBXKFHPRGPGA‑UHFFFAOYSA‑N`
Molecular Weight	191.27 g mol⁻¹
TPSA	37 Å²
log P	≈ 2.8
Rotatable Bonds	4
CAS No.	1225617‑18‑4
Applications	Spectral library building (forensic MS databases), QSAR and metabolic modeling research.

Legal & Ethical Notice

⚠️ Controlled‑Substance Compliance Statement
3‑Methyl‑N‑ethylcathinone (3‑MEC) is a prohibited psychoactive substance under international and regional drug control conventions.
Handling or analysis requires appropriate licensing, record‑keeping, and secure storage.
This profile is provided solely for scientific and regulatory reference purposes — not for promotion or sale.