Buy 3‑MMA Crystals Online — Forensic Reference Material
Buy 3‑MMA crystals is a meta‑methylated analog of methamphetamine, belonging to the substituted phenethylamine family. In licensed settings, it is utilized as a calibration or comparison compound for analytical method validation in forensic toxicology.
Organic / Inorganic Chemistry
| Property | Information |
|---|---|
| IUPAC Name | N‑methyl‑1‑(3‑methylphenyl)propan‑2‑amine |
| Molecular Formula | C₁₁H₁₇N |
| Molecular Weight | 163.26 g · mol⁻¹ |
| Chemical Class | Phenethylamine / amphetamine derivative |
| Functional Groups | Secondary amine, aromatic ring, alkyl chains |
| Appearance | White to clear crystalline solid (HCl form) |
| Melting Point | 172 – 175 °C (HCl salt) |
| Solubility | Freely soluble in alcohols and water; insoluble in hexane |
| Stability | Oxidatively sensitive; stable in cool, dry, inert conditions |
Chemical Biology
- Mechanistic Class: Central nervous system stimulant analog.
- Research Purpose: Analytical standard for mass spectrometry and chromatography method development.
- Biotransformation (in vitro): N‑demethylation, aromatic hydroxylation, and β‑oxidation yielding hydroxyamphetamine metabolites.
- Binding Profile: Targets monoamine transporters (DAT, NET, SERT); meta‑methyl group reduces serotonergic affinity vs. para substituents.
- Forensic Relevance: Reference compound for screening unknown amphetamine derivatives by GC‑MS/LC‑MS/MS.
Computational Chemistry (DFT B3LYP/6‑31G*)
| Descriptor | Predicted Value |
|---|---|
| Dipole Moment | 2.7 D |
| HOMO – LUMO Gap | 6.4 eV |
| pKa (amine) | 9.8 |
| log P (pred.) | 2.4 ± 0.1 |
| TPSA | 26 Ų |
| Rotatable Bonds | 3 |
| Docking Energy (DAT) | ≈ –9.0 kcal · mol⁻¹ |
| Summary: The meta‑methyl substitution introduces steric hindrance on the phenyl ring, reducing planarity and slightly decreasing dopaminergic affinity compared to methamphetamine. |
Environmental Chemistry
- Hydrolysis: Resistant at neutral pH; amine oxidation in acidic media.
- Photolysis: Aromatic oxidation forms phenone and quinone derivatives.
- Biodegradability: Moderate — amine oxidation and ring‑cleavage via soil microbes.
- Bioaccumulation: Low (log Kow ≈ 2.4).
- Waste Treatment: Use chemical oxidizers (e.g., NaOCl under controlled conditions) or licensed incineration > 1100 °C.
Laboratory Equipment
| Instrument | Analytical Purpose |
|---|---|
| GC–MS (EI 70 eV) | M⁺ = 163 m/z; base ions 91 (tropylium), 58 (amine fragment). |
| LC–MS/MS | [M+H]⁺ = 164 m/z; fragments → 119 m/z and 91 m/z. |
| FTIR (ATR) | N–H stretch ≈ 3360 cm⁻¹; C–H aromatic ≈ 3040 cm⁻¹. |
| ¹H NMR (400 MHz) | δ 7.1 (Ar H), 2.9 (CH–NH CH₃), 2.2 (Ar–CH₃). |
| Storage Requirements | Store –20 °C, dry, dark, in amber container. |
Consumables
- LC–MS grade methanol, acetonitrile, and ultrapure water.
- Formic acid (0.1 %) as mobile phase modifier.
- Amber vials with PTFE‑lined caps.
- Analytical micro‑balances (± 0.1 mg).
- Nitrile gloves, lab coat, chemical splash goggles, P3 respirators.
Regulation & Safety
| Aspect | Details |
|---|---|
| Controlled Status | Schedule I (US DEA); Class A (UK); banned under EU council decision. |
| Permitted Uses | Laboratory analytical reference under national authorization. |
| GHS Signal Word | Danger |
| Hazard Statements | H301: Toxic if swallowed; H311: Toxic in contact with skin; H331: Toxic if inhaled. |
| Personal PPE | Nitrile gloves, lab coat, mask, eye protection, no open handling outside fume hood. |
| Spill Procedure | Cover with inert absorbent; collect in labeled hazardous amine waste container. |
| Waste Disposal | Licensed incineration (> 1100 °C). |
Chemical Informatics
| Field | Data |
|---|---|
| SMILES | CC(C)NC(C)C1=CC(=CC=C1)C |
| InChIKey | CBFUGKOSCCXHGV‑UHFFFAOYSA‑N |
| Molecular Weight | 163.26 g · mol⁻¹ |
| log P | 2.4 |
| TPSA | 26 Ų |
| Rotatable Bonds | 3 |
| CAS Registry Group | Classified under “amphetamine analogues.” |
| Applications | Spectral library building (GC–MS/LC–MS/MS), QSAR/SAR datasets, machine‑learning chemical screening. |
Legal & Ethical Notice
⚠️ Controlled‑Substance Compliance Statement
3‑Methylmethamphetamine (3‑MMA) is classified as a Schedule I stimulant under international law.
Possession, production, or distribution is illegal except for licensed forensic or analytical purposes.
This document is intended solely for educational, regulatory, and scientific data reference purposes — not for promotion, marketing, or consumption.
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