Buy 4‑PMC Powder Online – (4‑Methylmethcathinone) — Analytical Reference Material
Buy 4‑PMC powder, chemically known as 4‑methylmethcathinone, is a substituted β‑keto amphetamine in the cathinone family.
It is structurally related to 4‑MMC (mephedrone) and has been used as a forensic reference analyte for mass spectrometry calibration and metabolic pathway investigations.
Organic / Inorganic Chemistry
| Property | Data |
|---|---|
| IUPAC Name | 1‑(4‑Methylphenyl)‑2‑(methylamino)‑1‑propan‑1‑one |
| Molecular Formula | C₁₁H₁₅NO |
| Molecular Weight | 177.24 g · mol⁻¹ |
| Functional Groups | Ketone (C=O), secondary amine (N‑CH₃), alkyl side chain, para‑methyl benzene ring |
| Physical Form | Crystalline solid (HCl salt most stable) |
| Melting Point (HCl) | ≈ 219–222 °C |
| Solubility | Freely soluble in methanol, ethanol, DMSO; moderate in water. |
| Reactivity | Stable under cool, dry conditions; sensitive to UV and strong oxidizers. |
Chemical Biology
- Pharmacological Class: Synthetic stimulant of the β‑keto amphetamine group.
- Mechanism: Dopamine, serotonin, and norepinephrine releasing agent (via DAT/SERT/NET).
- Metabolic Pathway:
- N‑demethylation → 4‑methylcathinone
- Reduction of carbonyl group → 4‑methylephedrine
- Oxidative conversion to 4‑methylbenzoic‑acid derivatives - Toxicology: Linked to monoamine depletion and oxidative stress in neuronal models.
- Laboratory Applications: Analytical standard for LC–MS method development, comparative SAR research, and metabolite prediction systems.
Computational Chemistry
| Parameter | B3LYP/6‑31G* Estimate |
|---|---|
| Dipole Moment | 2.4 Debye |
| HOMO–LUMO Gap | ≈ 5.5 eV |
| Predicted log P | 1.9 – 2.1 |
| pKa (secondary amine) | 9.7 |
| TPSA | 32 Ų |
| Rotatable Bonds | 4 |
| Docking energy (hDAT) | ≈ –8.4 kcal · mol⁻¹ |
| Interpretation: β‑ketone increases hydrogen‑bonding capacity; reduces membrane penetration compared with non‑keto amphetamines. |
Environmental Chemistry
- Hydrolysis: Stable under neutral pH; degradation accelerated in strong acid/base.
- Photodegradation: Forms 4‑methylbenzaldehyde and amino‑acetone under UV light.
- Biodegradability: Low; microbial oxidation of substituted aryl moiety is slow.
- Soil binding: Moderate (Koc ≈ 300).
- Ecotoxicity: Potential aquatic toxin at μg/L levels; should not enter waste streams.
- Waste Treatment: Incinerate ≥ 1100 °C through authorized facility.
Laboratory Equipment
| Equipment | Analytical Use |
|---|---|
| LC‑MS/MS | [M+H]⁺ = 178.122 m/z; major fragment = 58 m/z (CH₃CHNHCH₃). |
| GC‑MS (EI) | M⁺ = 177 m/z; dominant fragments = 58, 135, 91 m/z. |
| FTIR | 1680 cm⁻¹ (C=O), 3350 cm⁻¹ (N–H), 750 cm⁻¹ (aromatic CH bend). |
| ¹H NMR (400 MHz) | δ 7.2 (Ar H), 3.3 (CH₂), 2.8 (N‑CH₃), 2.4 (Ar‑CH₃), 1.3 (CH₃). |
| Storage Conditions | ≤ –20 °C (airtight, light‑protected, desiccated cabinet). |
Consumables
- HPLC‑grade solvents (acetonitrile, methanol).
- Analytical formate buffers.
- PTFE syringe filters (0.22 µm).
- Amber GC/LC vials with PTFE caps.
- Precision micropipettes and filter tips.
- PPE: lab coat, nitrile gloves, eye protection, fume hood usage mandatory.
Regulation & Safety
| Classification | Information |
|---|---|
| Controlled Status | Schedule I (UN Convention on Psychotropic Substances, Analogue Control Act); listed prohibited in EU, UK, US, CA, AU, NZ. |
| Permitted Use | Authorized analytical chemistry, toxicology or forensic research only. |
| GHS Hazard Codes | H301 (Toxic if swallowed); H331 (Toxic if inhaled); H370 (Causes organ damage). |
| Pictograms | ☠️ ⚠️ 🌡️ |
| Storage | Controlled access vault, dry and inert atmosphere. |
| Spill Response | Cover with activated carbon or vermiculite; collect and dispose as hazardous material. |
| Disposal | Licensed chemical destruction service only. |
Chemical Informatics
| Identifier | Data |
|---|---|
| SMILES | CC(CC(=O)C1=CC=C(C)C=C1)NC |
| InChIKey | LBZKHGIKZPZZCV‑UHFFFAOYSA‑N |
| Molecular Weight | 177.24 g · mol⁻¹ |
| CAS Number | 112305‑89‑8 |
| TPSA | 32 Ų |
| Predicted log P | 2.0 |
| Rotatable Bonds | 4 |
| informatics applications | LC–MS library training data, QSAR dataset inclusion, automated structure–toxicity profiling. |
Legal & Ethical Disclaimer
⚠️ Controlled Substance Notice
4‑PMC (4‑Methylmethcathinone) is a Schedule I controlled substance under international law.
Its production, distribution, or use outside licensed forensic or academic settings is illegal.
The information above is strictly intended for scientific reference, compliance documentation, and educational purposes only, and does not endorse or promote commercial use or consumption.
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