Buy 3‑Me‑PCPy Powder Online — Analytical Reference Material
Buy 3‑Me‑PCPy powder is a pyrrolidine analog of PCP, with a meta‑methyl substitution on the phenyl ring. It is studied primarily in toxicological screening, analytical reference method development, and SAR studies of arylcyclohexylamines.
Organic / Inorganic Chemistry
| Property | Details |
|---|---|
| IUPAC Name | 1‑[1‑(3‑methylphenyl)cyclohexyl]pyrrolidine |
| Molecular Formula | C₁₇H₂₅N |
| Molecular Weight | 243.39 g · mol⁻¹ |
| Chemical Class | Arylcyclohexylamine (dissociative) |
| Functional Groups | Secondary amine, aromatic ring, cyclohexyl ring |
| Appearance | Off‑white to white crystalline powder (HCl salt) |
| Melting Point (HCl) | ≈ 227 – 230 °C |
| Boiling Point (free base) | ≈ 370 °C (decomp.) |
| Solubility | Slightly soluble in water; soluble in methanol, ethanol, acetonitrile |
| Stability | Stable at ambient lab conditions; sensitive to UV and oxidation |
Chemical Biology
- Mechanistic Class: NMDA receptor antagonist / sigma‑1 receptor modulator
- In vitro Role: Forensic mass‑spectrometry reference for arylcyclohexylamine screening
- Target Pathways: Inhibits NMDA‑mediated currents; binds to kappa and sigma sites at higher concentrations
- Metabolism: N‑oxidation and hydroxylation on the cyclohexane ring; aromatic hydroxylation precedes phase II glucuronidation
- SAR Notes: Meta‑methyl enhances lipophilicity (log P ↑ ~0.3) and modifies binding orientation vs. unsubstituted PCPy analog
Computational Chemistry
| Parameter | Predicted Value (B3LYP/6‑31G*) |
|---|---|
| Dipole Moment | 2.67 D |
| HOMO–LUMO Gap | 6.2 eV |
| log P (pred.) | 4.5 |
| pKa (amine) | 10.0 |
| TPSA | 24 Ų |
| Rotatable Bonds | 3 |
| Docking Energy (NMDA) | ≈ –9.3 kcal · mol⁻¹ |
| Chemoinformatic Interpretation: Cyclohexyl and pyrrolidyl rings stabilize ligand orientation within hydrophobic binding pocket, producing a PCP‑like interaction profile but distinct hydrogen‑bonding pattern. |
Environmental Chemistry
- Hydrolysis: Resistant to hydrolysis under neutral conditions; amine oxidation occurs at pH < 4.
- Photolysis: Degrades under UV to form phenol and imine derivatives.
- Biodegradability: Moderate; oxidative demethylation and amine deamination in aerobic environments.
- Bioaccumulation Potential: Moderate (log Kow ≈ 4.5).
- Waste Treatment: Neutralize and oxidize before licensed high‑temperature destruction (> 1100 °C).
Laboratory Equipment
| Instrument | Analytical Use |
|---|---|
| GC–MS (EI, 70 eV) | M⁺ = 243 m/z; fragments = 200 (aromatic core), 86 (pyrrolidyl ion). |
| LC–MS/MS | [M+H]⁺ = 244 m/z; secondary fragment ≈ 200 m/z. |
| FTIR (ATR) | N–H stretch ≈ 3350 cm⁻¹; C–N ≈ 1120 cm⁻¹; Aromatic C–H ≈ 3040 cm⁻¹. |
| ¹H NMR (400 MHz) | δ 7.1 (Ar H), 3.2 (N‑CH₂), 1.4–2.2 (cyclohexyl H). |
| Storage | Cool (< –20 °C), dry, dark, inert atmosphere container. |
Consumables
- LC–MS grade methanol and acetonitrile for chromatography
- Analytical balances (± 0.1 mg)
- PTFE vials and caps for sample prep and storage
- Formic acid (0.1 %) as mobile phase modifier
- Nitrile gloves, lab coats, chemical respirators
Regulation & Safety
| Aspect | Information |
|---|---|
| Controlled Status | Schedule I (US DEA) • Class A (UK MDA 1971) • EU psychoactive substance ban. |
| Authorized Use | Licensed analytical reference and toxicology laboratories only. |
| GHS Signal Word | Danger |
| Hazard Statements | H301: Toxic if swallowed • H331: Toxic if inhaled • H311: Toxic in contact with skin. |
| Precautions | Use in controlled ventilated hood; avoid aerosols or dust formation. |
| Spill Procedures | Isolate area, absorb with inert material, dispose in labelled hazardous waste container. |
| Disposal | Licensed incineration > 1100 °C or chemical neutralization. |
Chemical Informatics
| Field | Data |
|---|---|
| SMILES | CC1=CC=CC(C2(CCCCC2)N3CCCC3)=C1 |
| InChIKey | KCEPVRNMRRXYOO‑UHFFFAOYSA‑N |
| Molecular Weight | 243.39 g mol⁻¹ |
| TPSA | 24 Ų |
| log P | ≈ 4.5 |
| Rotatable Bonds | 3 |
| CAS Number | 1250541‑44‑0 |
| Applications | Mass‑spectrometry libraries, QSAR and toxicological reference datasets. |
Legal & Ethical Notice
⚠️ Compliance Statement
3‑Me‑PCPy is a controlled arylcyclohexylamine regulated under international and national laws.
Possession or distribution without authorization is illegal.
The information above is intended solely for licensed forensic, academic, and safety documentation — not for promotion or marketing.
Be the first to review “3-Me-PCPy Powder”
Related products
Research Chemicals
Research Chemicals
Research Chemicals
Research Chemicals
Research Chemicals
Research Chemicals
Research Chemicals
Research Chemicals
Reviews
There are no reviews yet.