HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
3,4-Methylenedioxyamphetamine
DL-MDA · 3,4-MDA · Tenamfetamine · AURORA KA-7746 · (±)-MDA solution · mda(pharmaceutical) · N-(2-Methoxyethyl)-αMethylenedioxyamphetamine · 3,4-METHYLENDIOXYAMPHETAMIN
Identifikatoren & physikalische Daten
| CAS No. | 4764-17-4 |
|---|---|
| Summenformel | C10H13NO2 |
| Durchschnittliche Molmasse | 179,22 g/mol |
| Monoisotopische Masse | 179,09462866 g/mol |
| SMILES | CC(N)Cc1ccc2c(c1)OCO2 |
| InChIKey | NGBBVGZWCFBOGO-UHFFFAOYSA-N |
| PubChem CID | 1614 |
| ChEMBL | CHEMBL6731 |
| ChEBI | CHEBI:166520 |
| EC No. | 803-951-7 |
| DTXSID | DTXSID40859958 |
Chemische & physikalische Eigenschaften
| XLogP | 1,6 |
|---|---|
| Polarare Oberfläche (TPSA) | 44,5 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 3 |
| Frei drehbare Bindungen | 2 |
| Schwere Atome | 13 |
| Formalladung | 0 |
| Komplexität | 174 |
| LogP (Verteilungskoeffizient) | 1.64log Kow = 1.64 |
| Color/Form | Almost colorless oil |
| Siedepunkt | 157 °C at 22 mm Hg80-90 °C at 0.2 mm Hgbp22 157°bp0.2 80-90° |
| Decomposition | When heated to decomposition it emits toxic fumes of /Nitrogen oxides/. |
| Dissociation Constants | 9.67 (at 25 °C)pKa = 9.67 (conjugate acid) |
| Kovats Retention Index | 1443143414701495147214801464.614601508.8148414831496.31469.21457.42204 |
| Other Experimental Properties | Crystals from isopropanol/ether, mp 187-188 °C ... also reported as mp 180-181 °C ... Easily soluble in water, alcohol /Hydrochloride/ |
| Schmelzpunkt | 178-179 °C |
| Dichte | 1.1248 (rough estimate) |
| Brechungsindex | 1.5150 (estimate) |
| Flammpunkt | 9℃ |
| Lagerbedingungen | 2-8°C |
| pKa (Säurekonstante) | 9.94±0.10(Predicted) |
| Aggregatzustand | liquid |
| Hauptanwendungen | forensics and toxicology |
| InChI | 1S/C10H13NO2/c1-7(11)4-8-2-3-9-10(5-8)13-6-12-9/h2-3,5,7H,4,6,11H2,1H3 |
| InChIKey | NGBBVGZWCFBOGO-UHFFFAOYSA-N |
| SMILES | NC(C)CC1=CC=C(OCO2)C2=C1 |
| EPA chemische Informationen | 1,3-Benzodioxole-5-ethanamine, .alpha.-methyl- (4764-17-4) |
Sicherheit & Vorschriften
| GHS-Einstufung | DangerH300 (100%): Fatal if swallowed [Danger Acute toxicity, oral]H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposureRespiratory tract irritation]P261, P264, P264+P265, P270, P271, P280, P301+P316, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website. |
|---|---|
| FDA-Anforderungen | /DEA/ Schedule I shall consist of the drugs and other substances, by whatever official name, common or usual name, chemical name, or brand name designated, listed in this section. Each drug or substance has been assigned the DEA Controlled Substances Code Number set forth opposite it. Unless specifically excepted or unless listed in another schedule, any material, compound, mixture, or preparation, which contains any quantity of the following hallucinogenic substances, or which contains any of its salts, isomers, and salts of isomers whenever the existence of such salts, isomers, and salts of isomers is possible within the specific chemical designation (for purposes of this paragraph only, the term "isomer" includes the optical, position and geometric isomers). 3,4-Methylenedioxyamphetamine (DEA Code Number: 7400) is included on this list. |
| Hazard Classes and Categories | Acute Tox. 2 (100%)Skin Irrit. 2 (100%)Eye Irrit. 2 (100%)STOT SE 3 (100%) |
| Entsorgungsverfahren | SRP: At the time of review, criteria for land treatment or burial (sanitary landfill) disposal practices are subject to significant revision. Prior to implementing land disposal of waste residue (including waste sludge), consult with environmental regulatory agencies for guidance on acceptable disposal practices. |
Anwendungen & Verwendung
Verwenden
A metabolite of MDMA. Entactogen; synthetic amphetamine derivative with stimulant and hallucinogenic properties. Controlled substance (hallucinogen).