Buy 3‑HO‑PCP Crystal Online — Forensic Analytical Reference Material
Buy 3‑HO‑PCP crystal is a hydroxylated phencyclidine derivative within the arylcyclohexylamine family.
It is studied for analytical characterization, receptor binding assays, and forensic mass‑spectral identification of new psychoactive substances (NPS).
Organic / Inorganic Chemistry
| Property | Information |
|---|---|
| IUPAC Name | 1‑[1‑(3‑hydroxyphenyl)cyclohexyl]piperidine |
| Molecular Formula | C₁₇H₂₅NO |
| Molecular Weight | 259.39 g mol⁻¹ |
| Chemical Class | Arylcyclohexylamine / Phenolic derivative |
| Functional Groups | Phenol (–OH), secondary amine, cycloalkane |
| Physical Form | White to off‑white crystalline hydrochloride salt |
| Melting Point (HCl) | ≈ 214 – 217 °C |
| Solubility | Moderate in ethanol and methanol; low in water. |
| pKa (phenol) | ~9.7 |
| Stability | Sensitive to prolonged UV light and air oxidation; stable in dry, dark conditions. |
Chemical Biology
- Pharmacological class: NMDA receptor antagonist and µ‑opioid receptor partial agonist.
- Analytical application: Reference standard for forensic toxicology and LC–MS method development.
- Metabolic pathways: Phase I O‑glucuronidation → 3‑O‑glucuronide metabolite; minor N‑dealkylation.
- SAR discussion: Phenolic substitution alters hydrogen‑bonding and electron distribution, shifting receptor profile relative to PCP and 4‑HO analogs.
Computational Chemistry
| Descriptor | Predicted Value (B3LYP/6‑31G*) |
|---|---|
| Dipole Moment | 3.24 D |
| HOMO–LUMO Gap | 6.0 eV |
| log P (pred.) | 3.6 |
| pKa (amine) | 10.4 |
| TPSA | 38 Ų |
| Rotatable Bonds | 3 |
| Docking Energy (NMDA subunit) | ≈ –9.4 kcal mol⁻¹ |
| Interpretation: Addition of phenolic –OH enhances polar surface area, reduces lipophilicity, and modifies binding orientation compared to PCP. |
Environmental Chemistry
- Hydrolysis: Stable under neutral (pH 7) conditions.
- Photolysis: Forms benzoquinone and amine oxide products on UV exposure.
- Biodegradation: Moderate under aerobic conditions via phenol oxidation.
- Bioaccumulation: Low to medium (log Kow ≈ 3.6).
- Recommended waste treatment: Chemical oxidation of residues followed by licensed incineration > 1100 °C.
Laboratory Equipment
| Instrument | Analytical Use |
|---|---|
| GC–MS (EI) | M⁺ = 259 m/z; fragments = 86 (piperidyl), 201 (aromatic core). |
| LC–MS/MS | [M+H]⁺ = 260 m/z; main fragment → 242 m/z. |
| FTIR (ATR) | O–H stretch ≈ 3370 cm⁻¹; C–N ≈ 1125 cm⁻¹; aromatic C–H ≈ 3030 cm⁻¹. |
| ¹H NMR (400 MHz, CDCl₃) | δ 7.0–7.2 (Ar H), 3.1 (N‑CH₂), 1.3–2.2 (cyclohexyl H). |
| Storage | Under nitrogen/argon, –20 °C, protected from light and moisture. |
Consumables
- LC‑MS‑grade methanol and acetonitrile (for mobile phases).
- Formic acid (0.1 %) for HPLC buffers.
- Amber autosampler vials with PTFE/silicone septa.
- Nitrile protective gloves and anti‑static balance weighing boats.
- Desiccators for crystal storage and sample stability.
Regulation & Safety
| Aspect | Detail |
|---|---|
| Controlled Status | Schedule I (US DEA); Class A (UK MDA 1971); Schedule 9 (Australia). |
| Authorized Use | Analytical reference for licensed forensic laboratories only. |
| Hazard Classification (GHS) | Acute Toxicity (Category 3); Specific Target Organ Toxicity (Category 1). |
| Signal Word | Danger |
| Hazard Statements | H301: Toxic if swallowed • H331: Toxic if inhaled • H311: Toxic in contact with skin. |
| Precautions | P280: Wear gloves/eye protection • P261: Avoid inhalation • P403+P233: Store in well‑ventilated place. |
| First‑Aid Measures | Flush with water ≥ 15 min • obtain immediate medical help. |
| Waste Disposal | Submit to licensed hazardous chemical disposal facility. |
Chemical Informatics
| Field | Data |
|---|---|
| SMILES | OC1=CC=CC(C2(CCCCC2)N3CCCCC3)=C1 |
| InChIKey | WPUQQHNOXJPXIC‑UHFFFAOYSA‑N |
| Molecular Weight | 259.39 g mol⁻¹ |
| TPSA | 38 Ų |
| log P | 3.6 |
| Rotatable Bonds | 3 |
| CAS No. | 92256‑59‑4 |
| Applications | Mass‑spectral libraries, forensic analytical databases, QSAR training sets. |
Legal & Ethical Notice
⚠️ Controlled‑Substance Compliance Statement
3‑Hydroxyphencyclidine (3‑HO‑PCP) is a Schedule I substance under international drug control laws.
Possession or distribution outside licensed laboratories is prohibited.
This summary is intended solely for scientific, regulatory, and educational reference — not for advertising or promotion.
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