4‑Acetoxy‑N‑methyl‑N‑ethyltryptamine - Buy 4‑AcO‑MET Powder Online — Analytical Reference Standard
Buy 4‑AcO‑MET powder (4‑acetoxy‑N‑methyl‑N‑ethyltryptamine) is an acetylated indoleethylamine, structurally related to psilocin analogues.
In licensed research, it serves as a model compound for studying ester prodrug hydrolysis, indole reactivity, and receptor binding correlations among short‑chain N‑alkyl tryptamines.
Organic / Inorganic Chemistry
| Property | Data |
|---|---|
| IUPAC Name | [3‑(2‑(ethyl(methyl)amino)ethyl)‑1H‑indol‑4‑yl] acetate |
| Molecular Formula | C₁₄H₂₀N₂O₂ |
| Molecular Weight | 248.32 g · mol⁻¹ |
| Functional Classes | Indole ester, secondary amine |
| Physical Appearance | Off‑white to beige crystalline solid |
| Melting Point (est.) | 132 – 135 °C |
| Solubility | Ethanol, chloroform, DMSO; low water solubility |
| Stability | Hydrolyzes in moisture to 4‑HO‑MET; degrades under UV light. |
| Density | ~ 1.2 g · cm⁻³ |
Chemical Biology
- Classification: Synthetic indole tryptamine ester.
- Pharmacological target studies (licensed research): 5‑HT2A and 5‑HT1A receptors.
- Prodrug mechanism: Ester cleavage by carboxylesterases yields 4‑hydroxy‑MET.
- Metabolic pattern: Comparable to psilacetin; undergoes deacetylation then oxidative deamination.
- Applications: Reference material for HPLC/LC‑MS calibration and tryptamine metabolite studies.
Computational Chemistry
| Parameter | Predicted Value (DFT B3LYP/6‑31G*) |
|---|---|
| Dipole Moment | 3.18 D |
| HOMO–LUMO Gap | 5.75 eV |
| log P (pred.) | 2.4 ± 0.1 |
| pKa (amine) | 8.7 |
| TPSA | 54 Ų |
| Rotatable Bonds | 5 |
| Docking Energy (5‑HT2A, homology) | ≈ –8.9 kcal · mol⁻¹ |
| Interpretation: Small substitution (methyl → ethyl) modulates lipophilicity and receptor binding orientation. |
Environmental Chemistry
- Hydrolysis: Medium rate in aqueous neutral pH (half‑life ≈ 48 h).
- Photolysis: Indole ring oxidizes → quinone products.
- Biodegradability: Expected to be moderate; ester cleavage accelerates microbial uptake.
- Bioaccumulation potential: Low (log Kow ≈ 2.4).
- Disposal: Treat as controlled amine / ester waste → licensed high‑temperature incineration (> 1100 °C).
Laboratory Equipment
| Technique | Application |
|---|---|
| LC‑MS/MS | [M+H]⁺ = 249 m/z; major fragment 204 (tryptamine backbone). |
| GC‑MS (EI) | Base peak 58 m/z; fragments 160/130 m/z. |
| FTIR | C=O ester ≈ 1731 cm⁻¹; indole NH ≈ 3415 cm⁻¹; C=C ≈ 1513 cm⁻¹. |
| ¹H NMR | δ 7.0–7.4 (aromatic), 3.4 (CH₂ N), 1.1 (CH₃, ethyl group). |
| Storage Guidelines | ≤ −20 °C, dark, vacuum‑sealed or under nitrogen. |
Consumables
- LC‑MS grade methanol, acetonitrile, and water.
- Formic acid (0.1 %) for mobile‑phase control.
- Amber autosampler vials to prevent UV degradation.
- Analytical weigh boats, micro‑spatulas, glass syringes.
- PTFE 0.22 µm filters.
- Appropriate PPE: nitrile gloves, lab coat, FFP2‑rated mask, eye shield.
Regulation & Safety
| Aspect | Information |
|---|---|
| Controlled‑Drug Status | Schedule I (US Analogue Act); Class A (UK); similar restrictions worldwide. |
| Permitted Use | Analytical or forensic testing by licensed labs only. |
| GHS Signal Word | Warning |
| Hazard Statements | H302 (Harmful if swallowed); H315 (Causes skin irritation); H319 (Causes eye irritation). |
| Precautionary Measures | Avoid dust formation; perform all procedures in fume hood; store locked facility. |
| First‑Aid Advice | Flush exposed skin/eyes with water ≥ 15 min; seek medical help. |
| Waste Handling | Collect in labeled hazardous container → licensed incineration. |
Chemical Informatics
| Field | Data |
|---|---|
| SMILES | CCN(C)CCc1[nH]c2cccc(OC(=O)C)c2c1 |
| InChIKey | GWYVDQWYWJLWJE‑UHFFFAOYSA‑N |
| Molecular Weight | 248.32 g · mol⁻¹ |
| TPSA | 54 Ų |
| log P | 2.4 (predicted) |
| Rotatable Bonds | 5 |
| CAS Ref. | None assigned (analogue status). |
| Applications | Analytical reference spectra, QSAR / docking libraries, cheminformatics datasets. |
Legal & Ethical Notice
⚠️ Controlled‑Substance Declaration
4‑Acetoxy‑N‑methyl‑N‑ethyltryptamine is classified as a psychoactive tryptamine analogue and is subject to strict control under most drug laws. Only licensed entities with explicit authority for analytical research may handle or store this compound.
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