5‑MeO‑DMT Powder Fumarate — Analytical & Compliance Summary
5‑MeO‑DMT powder fumarate is a salt form of the indole alkylamine 5‑MeO‑DMT.
The fumarate variant enhances stability and handling relative to the freebase.
It appears as a crystalline, hygroscopic solid and is used under strict research licensing for analytical calibration or neurochemical receptor binding studies.
Organic / Inorganic Chemistry
| Property | Description |
|---|---|
| IUPAC name (base) | N,N‑dimethyl‑2‑(5‑methoxy‑1H‑indol‑3‑yl)‑ethan‑1‑amine |
| Salt Formation | Reaction of 5‑MeO‑DMT freebase with fumaric acid (1 : 1 stoichiometry). |
| Molecular formula (salt) | C₁₃H₁₈N₂O · C₄H₄O₄ = C₁₇H₂₂N₂O₅ |
| Molecular mass | 334.37 g · mol⁻¹ |
| Appearance | White to cream crystalline powder (fumarate). |
| Melting point | ≈ 147 °C (decomp.). |
| Solubility | Freely soluble in water and ethanol; less volatile than freebase. |
| pKa (amine) | ≈ 8.6; strongly basic in aqueous solution. |
Chemical Biology
- Pharmacological class: Serotonergic psychedelic tryptamine.
- Targets: 5‑HT₁A and 5‑HT₂A/2C receptors (partial agonist).
- Metabolism: MAO‑A‑driven oxidative deamination → indole‑acetaldehyde derivatives; O‑demethylation → bufotenine.
- Duration in mammalian models: Rapid absorption and clearance (half‑life ≈ 20–35 min).
- Research purpose: studies of endogenous tryptamine signal pathways and psychedelic neuropharmacology.
- Toxicology: Limited human data; potential for CNS and cardiovascular effects.
Computational Chemistry
| Descriptor | Typical Value (DFT B3LYP/6‑31G*) |
|---|---|
| HOMO–LUMO gap | 4.6 eV |
| Dipole moment | ~ 2.3 D (base molecule) |
| Pred. log P | 2.1 – 2.4 |
| Polar surface area (TPSA) | ≈ 41 Ų |
| Rotatable bonds | 4 |
| Fumarate ion interaction | Strong hydrogen bonding, electrostatic stabilization; reduced volatility. |
| Applications | Molecular modelling of salt stability and receptor binding; QSAR benchmarking. |
Environmental Chemistry
- Stability: More stable than freebase under ambient conditions; non‑volatile.
- Degradation: Oxidized by light and oxygen to quinone and formyl‑indole species.
- Persistence: Moderate in neutral pH water; readily oxidized during wastewater treatment.
- Toxicity: Predicted LC₅₀ (fish, 96 h) > 10 mg·L⁻¹ → low acute aquatic hazard.
- Disposal: Incinerate at ≥ 1000 °C with scrubbing; prevent release to drainage systems.
Laboratory Equipment (for licensed handling)
| Instrument | Analytical Use |
|---|---|
| HPLC / LC‑MS/MS | Quantification of salt purity and stability; [M+H]⁺ = 219.1702 for base. |
| FTIR | Hydrogen‑bonded C=O stretch at 1710 cm⁻¹ (fumarate carboxyl), C–O stretch 1250 cm⁻¹ (5‑MeO). |
| ¹H NMR | OCH₃ 3.8 ppm; N,N‑CH₃ 2.2 ppm; carboxylic acid protons 12–13 ppm (broad). |
| UV–Vis | Aromatic absorption max. ≈ 276 nm. |
| DSC/TGA | Assess thermal stability and hydration level of fumarate salt. |
Consumables
- HPLC/LC‑MS‑grade methanol, acetonitrile, water.
- Amber sample vials with PTFE septa.
- 0.22 µm PTFE filters, class A glassware.
- Certified 5‑MeO‑DMT fumarate reference solution (for forensic use under licence).
- Standard PPE: nitrile gloves, lab coat, eye protection, fume hood.
Regulation & Safety
| Category | Details |
|---|---|
| Controlled status | Schedule I (United States CSA §1308.11); Class A (UK MD Act); Schedule 9 (Australia). |
| Permitted use | Analytical and forensic research only under DEA or Home Office licence. |
| GHS hazards | H301 (Toxic if swallowed); H331 (Toxic if inhaled); H370 (Causes organ damage). |
| Storage | ≤ –20 °C, airtight light‑resistant container within controlled‑access vault. |
| Handling | Use certified biosafety cabinet / fume hood and appropriate PPE. |
| Disposal | Destruction by authorized hazard‑waste incineration with documentation. |
Chemical Informatics
| Descriptor | Value |
|---|---|
| SMILES | CN(C)CCC1=CNC2=CC=C(OC)C=C12.O=C(O)C=CHC(=O)O |
| InChIKey | RJKCGSCWXOLVMB‑UHFFFAOYSA‑N · FumarateSalt |
| Mol. weight (salt) | 334.37 g · mol⁻¹ |
| log P (pred) | ≈ 2.2 |
| TPSA | ≈ 86 Ų (including fumarate). |
| Rotatable bonds | 6 |
| Application areas | Chemical informatics training datasets, mass‑spectral reference libraries, QSAR for indole compounds. |
Ethical and Legal Notice
⚠️ Controlled‑Substance Warning
5‑MeO‑DMT and its salts (e.g., fumarate) are Schedule I psychoactive substances under the UN 1971 Convention on Psychotropic Substances.
Possession or sale without a valid licence is criminally prohibited.
This documentation is published for scientific and regulatory reference only
— supporting chemical identification, compliance, and environmental safety protocols.
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