Buy 4‑AcO‑DET Powder Online – (4‑Acetoxy‑N,N‑Diethyltryptamine) — Analytical Reference Standard
Buy 4‑AcO‑DET powder is a semi‑synthetic indole alkaloid, the acetate ester of 4‑hydroxy‑N,N‑diethyltryptamine (4‑HO‑DET).
In controlled pharmacological and chemical analyses, it is used to investigate indole ester stability, enzymatic hydrolysis, and psychedelic tryptamine structure–activity relationships (SARs).
Organic / Inorganic Chemistry – Buy 4‑AcO‑DET Powder
| Property | Details |
|---|---|
| IUPAC Name | [3‑(2‑diethylaminoethyl)‑1H‑indol‑4‑yl] acetate |
| Molecular Formula | C₁₆H₂₂N₂O₂ |
| Molecular Weight | 274.36 g · mol⁻¹ |
| Chemical Class | Tryptamine ester (acylated indole amine) |
| Functional Groups | Indole heterocycle, acetoxy ester, secondary amine, ethyl substituents |
| Appearance | Off‑white to pale beige microcrystalline powder |
| Melting Point (reported) | ~ 133 – 136 °C |
| Solubility | Soluble in ethanol, chloroform, DMSO; limited water solubility |
| Stability | Hydrolyzes slowly to 4‑HO‑DET under moisture or alkaline conditions; store dry and cold. |
Chemical Biology
- Pharmacological class: Tryptamine analogue (forming indole‑based psychedelic core).
- Experimental purpose: Study of ester hydrolysis rates, metabolic pathways, and receptor affinities in licensed neurochemical research.
- Enzymatic mechanism: Hydrolysis by carboxylesterases → formation of 4‑hydroxy derivative (4‑HO‑DET) + acetic acid.
- Binding targets (experimental): 5‑HT2A, 5‑HT1A receptors in rat cortical models.
- Metabolic pathways: O‑deacetylation → phenol intermediate, followed by oxidative deamination and glucuronidation.
- Purpose in research: Helps evaluate indolic acetate prodrugs and their physicochemical properties.
Computational Chemistry
| Descriptor | Predicted Value (DFT B3LYP/6‑31G*) |
|---|---|
| Dipole Moment | 3.23 Debye |
| HOMO–LUMO Gap | 5.7 eV |
| log P (pred.) | 2.6 ± 0.1 |
| pKa (amino) | 8.9 |
| TPSA (Topological Polar Surface Area) | 54 Ų |
| Rotatable Bonds | 5 |
| Conformational Highlights | Ester moiety in anti orientation to indole NH; stabilized via intramolecular H‑bond. |
| Receptor Docking Energy (5‑HT2A, model) | ≈ –8.7 kcal · mol⁻¹ |
Environmental Chemistry
- Hydrolysis: Moderate (half‑life several days in aqueous neutral media).
- Photolysis: Indole core degrades under UV light → quinonoid byproducts.
- Biodegradability: Partial; microbial enzymes cleave acetate group → more polar metabolites.
- Bioaccumulation: Low (predictive log Kow ≈ 2.6).
- Disposal: Treat as hazardous amine/ester waste; use licensed incineration (≥ 1100 °C) or oxidative digestion.
Laboratory Equipment
| Technique | Purpose |
|---|---|
| LC–MS/MS | [M+H]⁺ = 275 m/z; fragments = tryptamine backbone 160/130 m/z. |
| GC–MS (EI) | Ester cleaves → fragment at m/z 202; base peak indole ion m/z 58. |
| FTIR | C=O stretch ≈ 1730 cm⁻¹ (acetate); N–H ≈ 3420 cm⁻¹; indole C=C ≈ 1515 cm⁻¹. |
| ¹H NMR (400 MHz) | δ 7.0–7.4 (aromatic), 3.4 (CH₂ N), 1.15 (CH₃ ethyl). |
| Storage | ≤ –20 °C, dry, amber glass with inert gas flush. |
Consumables
- LC‑MS‑grade methanol and water.
- Formic acid buffer (0.1 %) for mobile‑phase acidification.
- Amber vials to prevent photo‑degradation.
- Desiccant packs.
- USP‑certified analytical weigh boat and Class A glassware.
- Disposable PTFE (0.22 µm) filters.
- Nitrile gloves, face shield, FFP2 respiratory mask.
Regulation & Safety
| Aspect | Details |
|---|---|
| Controlled Status | Schedule I (US Analogue Act); Class A (UK); similar restrictions elsewhere. |
| Permitted Use | Forensic toxicology and biochemical research under appropriate permits only. |
| GHS Signal Word | Warning |
| Hazard Statements | H302 (Harmful if swallowed); H315 (Irritant to skin); H319 (Causes serious eye irritation). |
| Precautions | Handle in fume hood; avoid contact with moisture or UV light. |
| Emergency Response | Wash affected area with water ≥ 15 min; seek medical attention. |
| Waste Management | Collect in sealed waste bottle; licensed incineration ≥ 1100 °C. |
Chemical Informatics
| Identifier | Data |
|---|---|
| SMILES | CCN(CC)CCc1[nH]c2cccc(OC(=O)C)c2c1 |
| InChIKey | LVZYXYVUDSOBSO‑UHFFFAOYSA‑N |
| Molecular Weight | 274.36 g · mol⁻¹ |
| TPSA | 54 Ų |
| log P (pred.) | 2.6 |
| Rotatable Bonds | 5 |
| Major Databases | PubChem CID = 442061; ChemSpider ID = 390398. |
| Applications | QSAR datasets, chromatographic library calibration, molecular docking validation. |
Legal & Ethical Notice
⚠️ Controlled‑Substance Advisory
4‑Acetoxy‑N,N‑diethyltryptamine is a psychoactive tryptamine and classified as a prohibited compound in many jurisdictions.
All handling must comply with drug control, licensing, and chemical safety legislation.
This information is provided solely for scientific reference and regulatory compliance — not for promotion or use.
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