5‑MeO‑DMT (Freebase, Liquid Form) — Analytical & Safety Dossier
5‑Methoxy‑N,N‑dimethyltryptamine (5‑MeO‑DMT Liquid Freebase) is a naturally occurring indole alkylamine of the tryptamine family.
In freebase form at room temperature, it can appear as a viscous, oily liquid due to its low melting point (~ 30 °C).
Used legally only under licenses for forensic, receptor‑binding, or trace metabolite studies.
Organic / Inorganic Chemistry
| Property | Description |
|---|---|
| IUPAC Name | N,N‑dimethyl‑2‑(5‑methoxy‑1H‑indol‑3‑yl)ethan‑1‑amine |
| Formula | C₁₃ H₁₈ N₂ O |
| Molecular mass | 218.30 g · mol⁻¹ |
| Functional groups | Indole aromatic, tertiary amine, methoxy ether. |
| Physical state (≈25 °C) | Clear to amber liquid (freebase); odor amine‑like. |
| Boiling range | ~ 160 °C at 10 mm Hg. |
| Solubility | Low in water; high in ethanol, chloroform, toluene. |
| Reactivity | Air‑and light‑sensitive; rapidly oxidized to quinones. |
| Salt formation | Readily forms stable salts (e.g., hydrochloride, fumarate) for analytical storage. |
Chemical Biology
- Biochemical class: Indole ethylamine neuroactive compound.
- Targets: High affinity for 5‑HT₁A and 5‑HT₂A serotonin receptors.
- Mechanism: Agonist that modulates neural signaling through serotonergic pathways.
- Metabolism: Predominantly via monoamine oxidase‑A; produces bufotenine (5‑HO‑DMT) and inert amines.
- In vivo kinetics (models): Rapid onset and brief duration (< 1 h).
- Biosynthetic reference: Occurs endogenously in trace levels in mammalian tissues.
Computational Chemistry
| Parameter | Predicted (B3LYP/6‑31G*) |
|---|---|
| HOMO–LUMO gap | 4.7 eV |
| Dipole moment | 2.2 D |
| Pred. log P | 2.3 |
| Polar surface area (TPSA) | 41 Ų |
| Rotatable bonds | 4 |
| Pred. pKa (amine) | ≈ 8.5 |
| Conformation | Ethylamine side chain folded ~ 60° to indole plane. |
| Computational applications: Docking and QSAR benchmarks in 5‑HT receptor model systems. |
Environmental Chemistry
- Volatility: High when unsealed; evaporative loss to air possible.
- Photodecomposition: Rapid under UV or sunlight (half‑life < 2 h).
- Biodegradation: Moderate; oxidized by soil and water microflora.
- Waste management: Absorb spills with inert material (vermiculite); incinerate > 1000 °C.
- Ecotoxicity: Low persistence; avoid release to aqueous systems.
Laboratory Equipment (licensed facilities)
| Instrument | Analytical Purpose |
|---|---|
| GC‑MS (EI) | M⁺ = 218; fragments 188, 130. |
| LC‑MS/MS | [M+H]⁺ = 219.1702; MRM for pharmacokinetic profiling. |
| FTIR | Indole C–H stretch ≈ 3050 cm⁻¹; methoxy C–O stretch ≈ 1250 cm⁻¹. |
| NMR (¹H) | OCH₃ 3.8 ppm; N,N‑CH₃ 2.2 ppm; Aromatic ~ 7.0 ppm. |
| Spectrofluorimetry | λ_exc 274 nm / λ_em 340 nm (characteristic indole fluorescence). |
| Storage apparatus | Amber‑glass serum bottles with PTFE liners; ≤ –20 °C under N₂. |
Consumables
- HPLC‑grade methanol, acetonitrile, and ultrapure water.
- Amber vials with crimp seals (PFA/PTFE caps).
- Micropipettes calibrated for μL range to minimize aerosols.
- Certified reference solution (for accredited forensic analyses).
- PPE: nitrile gloves, face shield or goggles, fume‑hood use mandatory.
Regulation & Safety
| Category | Details |
|---|---|
| Legal status | Schedule I (US CSA 21 CFR 1308.11); Class A (UK MD Act); Schedule 9 (Australia). |
| Permitted use | Analytical / forensic research only by licensed entities. |
| GHS symbols | ☠️ Toxic ⚠️ Corrosive 🌡️ Target‑organ toxicant |
| Hazard phrases | H301: Toxic if swallowed; H331: Toxic if inhaled; H370: Causes organ damage. |
| First aid | If exposed: flush eyes/skin 15 min; seek medical assistance. |
| Storage class | Controlled drug vault, light‑shielded, ≤ –20 °C. |
| Waste disposal | Licensed incineration with full waste‑trace forms. |
Chemical Informatics
| Identifier | Value |
|---|---|
| SMILES | CN(C)CCC1=CNC2=CC=C(OC)C=C12 |
| InChIKey | RJKCGSCWXOLVMB‑UHFFFAOYSA‑N |
| CAS Number | 1019‑45‑0 |
| Molecular weight | 218.30 g · mol⁻¹ |
| Pred. log P | 2.3 |
| TPSA (Ų) | 41 |
| Rotatable bonds | 4 |
| Related entries | PubChem CID 123072; ChemSpider ID 94894 |
| Data use | Mass‑spectral libraries, QSAR modelling, structure normalization in chemical LIMS. |
Ethical and Legal Notice
⚠️ Controlled Substance Compliance Statement
5‑MeO‑DMT (freebase or salt forms) is prohibited for unlicensed manufacture, sale, or ingestion under the UN Psychotropic Substances Convention (1971).
Handling is lawful only under government‑issued research licences with vaulted storage and destruction protocols.
This document is provided for scientific classification, regulatory compliance, and safety education only.
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