Buy 3‑Me‑PCE Powder Online — Analytical Reference Material
Buy 3‑Me‑PCE powder is a methylated analog of eticyclidine (PCE), belonging to the arylcyclohexylamine class of dissociative compounds.
It is studied in forensic identification, structure–activity relationship (SAR) research, and mass‑spectrometric database development.
Organic / Inorganic Chemistry
| Property | Information |
|---|---|
| IUPAC Name | N‑Ethyl‑1‑[1‑(3‑methylphenyl)cyclohexyl]ethanamine |
| Molecular Formula | C₁₇H₂₇N |
| Molecular Weight | 245.40 g mol⁻¹ |
| Chemical Family | Arylcyclohexylamine (dissociative amine class) |
| Functional Groups | Secondary amine (–N‑ethyl), aromatic ring, cyclohexyl group |
| Physical Appearance | White to off‑white crystalline powder as hydrochloride salt |
| Boiling Point | ~ 340–350 °C (decomposes) |
| Melting Point (HCl) | ≈ 226 °C |
| Solubility | Freely soluble in ethanol and chloroform; limited in water |
| Chemical Stability | Stable under dry, dark conditions; amine moiety oxidizes gradually in air. |
Chemical Biology
- Functional Classification: NMDA receptor antagonist; arylcyclohexylamine family.
- Analytical Role: Used in forensic toxicology as a reference standard to characterize ethyl‑substituted PCP analogs.
- In vitro metabolism: N‑dealkylation and hydroxylation on the phenyl ring and cyclohexyl moiety.
- SAR discussion: The meta‑methyl substitution increases lipophilicity (log P), enhancing membrane partitioning and slightly modifying NMDA affinity relative to PCE.
Computational Chemistry
| Descriptor | Predicted Value (B3LYP/6‑31G*) |
|---|---|
| Dipole Moment | 2.62 D |
| HOMO–LUMO Gap | 6.3 eV |
| log P (pred.) | 4.7 |
| pKa (amine) | 10.1 |
| TPSA (Ų) | 24 |
| Rotatable Bonds | 4 |
| Docking Energy (NMDA) | ≈ –9.2 kcal mol⁻¹ |
| Interpretation: Cyclohexyl and ethyl amine orientation mimics PCE binding; meta‑methyl adds hydrophobic interaction with glutamate binding pocket. |
Environmental Chemistry
- Hydrolysis: Resistant under neutral pH; amine oxidation dominant degradation route.
- Photo‑oxidation: Phenyl ring oxidation and N‑oxide formation under UV light.
- Biodegradability: Moderate; oxidative demethylation observed in activated sludge studies.
- Bioaccumulation: Moderate potential (log Kow ≈ 4.7).
- Waste Management: Prefer licensed high‑temperature incineration or chemical neutralization.
Laboratory Equipment
| Instrument | Purpose |
|---|---|
| GC–MS (EI) | M⁺ = 245 m/z; fragments 86 (ethylamine), 200 (aromatic core). |
| LC–MS/MS | [M+H]⁺ = 246 m/z; main fragment = 200 m/z. |
| FTIR (ATR) | N‑H stretch ≈ 3320 cm⁻¹; C–N stretch ≈ 1120 cm⁻¹; Aromatic C–H ≈ 3030 cm⁻¹. |
| ¹H NMR (400 MHz) | δ 7.1 (Ar H), 2.4 (N‑CH₂), 1.5–2.1 (C₆H₁₁ protons). |
| Storage | Dry and dark; airtight container below –20 °C under nitrogen. |
Consumables
- LC–MS grade solvents (methanol, acetonitrile)
- Formic acid (0.1 %) for HPLC mobile phases
- Amber autosampler vials and PTFE/silicone septa
- Analytical micro‑balance (± 0.1 mg)
- Certified reference materials for calibration
- Nitrile gloves, lab coats, and P3 respirators
Regulation & Safety
| Aspect | Information |
|---|---|
| Controlled Status | Schedule I (US DEA) • Class A (UK MDA 1971) • Schedule 9 (Australia). |
| Authorized Use | Licensed forensic and toxicological applications only. |
| GHS Signal Word | Danger |
| Hazard Statements | H301: Toxic if swallowed • H331: Toxic if inhaled • H311: Toxic in contact with skin. |
| Precautionary Statements | Use in fume hood, avoid aerosols • Wear PPE (gloves/goggles). |
| Spill Procedures | Absorb with inert material; dispose as hazardous waste. |
| Decontamination | Treat with sodium hypochlorite solution followed by neutralization. |
Chemical Informatics
| Field | Data |
|---|---|
| SMILES | CCN(C)C1(CCCCC1)C2=CC(=CC=C2)C |
| InChIKey | YKGBRPJHCVJLRD‑UHFFFAOYSA‑N |
| Molecular Weight | 245.40 g mol⁻¹ |
| TPSA | 24 Ų |
| log P | 4.7 |
| Rotatable Bonds | 4 |
| CAS No. | Not officially assigned (publication‑pending analog code). |
| Applications | Forensic reference mass spectrum libraries, QSAR model training datasets. |
Legal & Ethical Notice
⚠️ Controlled‑Substance Notice
3‑Methyl‑eticyclidine (3‑Me‑PCE) is a regulated arylcyclohexylamine under international drug control treaties.
Unauthorized possession or use is illegal. This document exists solely for regulated research, forensic, or safety purposes — not for promotion or marketing.
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