4-PMC powder

€23

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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 Å²
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 Å²
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.