Buy 3‑MeO‑PCE Powder Online — Analytical Reference Material
Buy 3‑MeO‑PCE powder (3‑methoxy‑N‑ethyl‑1‑phenylcyclohexan‑1‑amine) is a phencyclidine (PCP)‑class arylcyclohexylamine.
It is used as a forensic standard to validate analytical methods for dissociative amine detection, quantification, and isomer discrimination through chromatography and mass spectrometry.
Organic / Inorganic Chemistry
| Property | Information |
|---|---|
| IUPAC Name | N‑ethyl‑1‑(3‑methoxyphenyl)cyclohexan‑1‑amine |
| Molecular Formula | C₁₅H₂₃NO |
| Molecular Weight | 233.35 g · mol⁻¹ |
| Chemical Class | Arylcyclohexylamine |
| Functional Groups | Secondary amine, ether (–OCH₃), cycloalkane, aromatic ring |
| Appearance | Off‑white to beige crystalline or powder form (HCl salt) |
| Melting Point | ≈ 196 – 199 °C (HCl) |
| Solubility | Soluble in alcohols and chloroform; slightly soluble in water. |
| Stability | Stable in anhydrous conditions, degrades upon UV exposure or moisture. |
Chemical Biology
- Mechanistic Class: NMDA receptor antagonist / dissociative arylcyclohexylamine.
- Research Usage: Calibrant for mass spectrometry, binding affinity studies (NMDA, σ1 receptors), and forensic screening of PCP analogues.
- Pharmacological Note: The 3‑methoxy group enhances lipophilicity and receptor affinity compared to PCE.
- Metabolism (in vitro): O‑demethylation, N‑deethylation, and hydroxylation on the cyclohexyl ring followed by glucuronidation.
- Applications: Reference spectrum for LC–MS multi‑residue screen libraries and toxicological metabolite profiling.
Computational Chemistry
| Descriptor | Predicted Value (DFT B3LYP/6‑31G*) |
|---|---|
| Dipole Moment | 2.85 D |
| HOMO–LUMO Gap | 6.0 eV |
| log P (pred.) | 4.1 ± 0.2 |
| pKa (amine) | 10.4 |
| TPSA | 29 Ų |
| Rotatable Bonds | 4 |
| Docking Energy (NMDA receptor) | ≈ –9.3 kcal · mol⁻¹ |
| Computational Summary: The methoxy moiety stabilizes π–π and dipolar contacts within the receptor site, increasing hydrophobic interaction strength relative to PCE. |
Environmental Chemistry
- Hydrolysis: Stable at neutral pH; amine oxidation occurs under acidic or oxidative media.
- Photodegradation: Methoxy de‑substitution with formation of phenolic derivatives.
- Biodegradability: Low to moderate; aromatic ether group resists bacterial cleavage.
- Bioaccumulation Potential: Moderate (log Kow ≈ 4.1).
- Waste Treatment: Requires controlled combustion > 1100 °C or chemical oxidation (neutralized amine to salt) per hazardous substance protocols.
Laboratory Equipment
| Instrument | Application |
|---|---|
| GC–MS (EI) | M⁺ = 233 m/z; key fragments 85 (piperidine like), 164 (aromatic core). |
| LC–MS/MS | [M+H]⁺ = 234 m/z; main fragment → 164 m/z (methoxyphenyl ion). |
| FTIR (ATR) | Aromatic C–O–C ≈ 1250 cm⁻¹; N–H ≈ 3340 cm⁻¹; C–H aromatic ≈ 3030 cm⁻¹. |
| ¹H NMR (400 MHz) | δ 6.9 (Ar H), 3.8 (OCH₃), 2.7 (NCH₂), 1.4 – 1.8 (cyclohexyl H). |
| Storage Conditions | Dry, dark, below –20 °C, sealed amber bottle under inert gas. |
Consumables
- LC‑MS grade methanol, acetonitrile, and water.
- Formic acid (0.1 %) or ammonium formate buffers for HPLC mobile phase.
- Amber autosampler vials with PTFE/silicone septa.
- Nitrile powder‑free gloves, eye protection, and FFP2 respiratory mask.
- Certified micro‑spatulas and weigh boats for microgram‑scale reference preparation.
Regulation & Safety
| Aspect | Information |
|---|---|
| Controlled Status | Schedule I (US DEA); Class A (UK Misuse of Drugs Act); controlled under EU and UN psychotropics lists. |
| Permitted Usage | Analytical, toxicological, or forensic reference under license. |
| GHS Signal Word | Danger |
| Hazard Statements | H301: Toxic if swallowed; H311: Toxic in contact with skin; H331: Toxic if inhaled. |
| Precautions | Work in ventilated fume hood; use personal protective equipment; record chain of custody. |
| Spill Response | Absorb on inert material (vermiculite) → chemical waste container → authorized destruction. |
Chemical Informatics
| Field | Data |
|---|---|
| SMILES | CCN[C@@H]1CCCCC1C2=CC(=CC=C2)OC |
| InChIKey | CJGDAFZOZYPFEZ‑UHFFFAOYSA‑N |
| Molecular Weight | 233.35 g · mol⁻¹ |
| TPSA | 29 Ų |
| log P (pred.) | 4.1 |
| Rotatable Bonds | 4 |
| CAS Number | 1160135‑94‑1 |
| Applications | Forensic reference standard, MS spectral databases, QSAR/SAR comparison for arylcyclohexylamines. |
Legal & Ethical Notice
⚠️ Controlled‑Substance Compliance Statement
3‑Methoxy‑Eticyclidine (3‑MeO‑PCE) is a Schedule I controlled compound.
Handling, analysis, and storage require national authorization and compliance with record‑keeping and security requirements.
This information is provided for scientific documentation and regulatory knowledge purposes only — not for promotion, distribution, or consumption.
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