5‑MeO‑DMT (Freebase) powder Online – (5‑Methoxy‑N,N‑Dimethyltryptamine) — Reference & Compliance Dossier
5‑MeO‑DMT (Freebase) powder is a naturally occurring indole‑alkylamine of the tryptamine family.
It is found in trace quantities in various plants (e.g., Anadenanthera peregrina) and in the venom of Incilius alvarius toads.
The freebase powder form is a volatile, lipophilic alkaloid designed for laboratory synthesis and analytical reference, not consumption.
Organic / Inorganic Chemistry
| Property | Description |
|---|---|
| IUPAC name | N,N‑dimethyl‑2‑(5‑methoxy‑1H‑indol‑3‑yl)ethan‑1‑amine |
| Formula | C₁₃H₁₈N₂O |
| Molecular mass | 218.30 g · mol⁻¹ |
| Functional groups | Indole heteroaromatic, tertiary amine, methoxy ether. |
| Appearance | White to off‑white crystalline powder (freebase is waxy near room T). |
| Boiling point | ~ 160 °C (10 mm Hg). |
| Solubility | Freely soluble in non‑polar / moderately polar organics (e.g., ethanol, chloroform); poor in water. |
| Reactivity | Subject to oxidation and UV degradation; forms acid salts readily. |
Chemical Biology
- Pharmacodynamic category: Serotonergic psychedelic tryptamine.
- Binding affinity: High for 5‑HT₁A and 5‑HT₂A receptors (Kᵢ ≈ 10–30 nM).
- Metabolism: Primarily via monoamine oxidase A (MAO‑A); O‑demethylation produces bufotenine (5‑HO‑DMT).
- Duration and onset: Short (~15–30 min in animal pharmacokinetic models).
- Research applications: Studies of indole receptor agonism and endogenous tryptamine biosynthesis.
- Toxicology: Potential for tachycardia and hypertension; no approved therapeutic use.
Computational Chemistry
| Descriptor | Computed (typical B3LYP/6‑31G*) |
|---|---|
| HOMO–LUMO gap | 4.7 eV |
| Dipole moment | 2.2 D |
| Pred. log P | ≈ 2.3 (moderate lipophilicity) |
| Total polar surface area (TPSA) | 41 Ų |
| Rotatable bonds | 4 |
| Molecular volume | ≈ 210 ų |
| Conformation features | Indole planar; ethylamine chain folded at ~60 °. |
| Application | Docking and QSAR data for 5‑HT ligand‐receptor studies. |
Environmental Chemistry
- Volatility: High owing to low molecular polarity and freebase form.
- Degradation: Rapid oxidation to indolic quinones under UV light and oxygen.
- Persistence: Moderate in dark anaerobic conditions; low bioaccumulation potential.
- Water treatment: Ozone and advanced oxidation effectively destroy tryptamine residues.
- Waste management: Neutralize acids/bases then incinerate at ≥ 1000 °C in licensed hazard facility.
Laboratory Equipment (for licensed analytical use)
| Instrument | Analytical Purpose / Notes |
|---|---|
| GC‑MS (EI) | Primary screening; m/z 218 [M⁺]; characteristic fragments 130, 160, 188. |
| LC‑MS/MS | Trace quantification; [M+H]⁺ = 219.1702; LOD ≈ 1 ng·mL⁻¹. |
| FTIR | N–H stretch 3300 cm⁻¹; C–O–CH₃ band 1250 cm⁻¹; aromatic bands 1600 cm⁻¹. |
| ¹H / ¹³C NMR | OCH₃ 3.8 ppm; N,N‑CH₃ 2.2 ppm; indole H 6.9–7.3 ppm. |
| UV–Vis | Max absorption ~ 276 nm (aromatic π→π*). |
Facility considerations:
Controlled‑substance storage, HEPA ventilation, calibrated balances, trace‑grade solvent purity.
Consumables
- HPLC/LC‑MS grade methanol & water (0.1 % formic acid).
- Amber vials with PTFE septa (minimize light exposure).
- Syringe filters (0.22 µm PTFE).
- Certified 5‑MeO‑DMT analytical standards (licensed only).
- PPE: nitrile gloves, lab coat, safety glasses, fume hood.
Regulation & Safety
| Category | Description |
|---|---|
| Legal status | Schedule I (US CSA 21 CFR 1308.11); Class A (UK MD Act); Schedule 9 (Australia). |
| Permitted use | Forensic and authorized research only. |
| Hazard statements (GHS) | H301 (Toxic if swallowed); H331 (Toxic if inhaled); H370 (Causes organ damage). |
| Storage | ≤ –20 °C, dark, airtight container in controlled drug safe. |
| Handling | Use Class II biosafety cabinet / fume hood; monitor airborne particulates. |
| Disposal | Chemical destruction or incineration via licensed hazardous waste contractor. |
Chemical Informatics
| Identifier | Value |
|---|---|
| SMILES | CN(C)CCC1=CNC2=CC=C(OC)C=C12 |
| InChIKey | RJKCGSCWXOLVMB‑UHFFFAOYSA‑N |
| CAS Registry No. | 1019‑45‑0 |
| log P (pred) | 2.3 |
| TPSA | 41 Ų |
| Rotatable bonds | 4 |
| 3D structure database | PubChem CID 123072 |
| Applications | Mass‑spectral libraries, QSAR datasets, receptor docking benchmarks. |
Ethical and Legal Notice
⚠️ Controlled‑Substance Compliance Warning
5‑MeO‑DMT is regulated internationally under the 1971 UN Convention on Psychotropic Substances.
Possession or distribution without an appropriate licence is illegal.
This information is intended solely for scientists and regulators involved in analytical, forensic, or environmental chemistry.
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