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Benzo-1,3-dioxol-5-ethylamin
2-(benzo[d][1,3]dioxol-5-yl)ethan-1-amine · 3,4-METHYLENEDIOXYPHENETHYLAMINE · 1,3-BENZODIOXOLE-5-ETHANAMINE · DL-MDEA · 3,4-MDE · AURORA KA-7750 · HOMOPIPERONYLAMINE · RARECHEM AL BW 0255
Identifikatoren & physikalische Daten
| CAS No. | 1484-85-1 |
|---|---|
| Summenformel | C9H11NO2 |
| Durchschnittliche Molmasse | 165,19 g/mol |
| Monoisotopische Masse | 165,07897859 g/mol |
| SMILES | NCCc1ccc2c(c1)OCO2 |
| InChIKey | RRIRDPSOCUCGBV-UHFFFAOYSA-N |
| PubChem CID | 73874 |
| ChEMBL | CHEMBL420095 |
| EC No. | 108-538-9 |
| DTXSID | DTXSID00163982 |
| Lokaler Name | Benzo-1,3-dioxol-5-ethylamin |
Chemische & physikalische Eigenschaften
| XLogP | 1,2 |
|---|---|
| Polarare Oberfläche (TPSA) | 44,5 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 3 |
| Frei drehbare Bindungen | 2 |
| Schwere Atome | 12 |
| Formalladung | 0 |
| Komplexität | 151 |
| Schmelzpunkt | 114 °C |
| Siedepunkt | 146-148°C/10 mm |
| Dichte | 1.2250 |
| Brechungsindex | 1.5620 (estimate) |
| Lagerbedingungen | -20°C Freezer, Under Inert Atmosphere |
| Löslichkeit | Chloroform, Methanol |
| pKa (Säurekonstante) | 9.90±0.10(Predicted) |
| Aggregatzustand | Liquid |
| Farbe | Colorless to pale yellow |
| InChI | InChI=1S/C9H11NO2/c10-4-3-7-1-2-8-9(5-7)12-6-11-8/h1-2,5H,3-4,6,10H2 |
| InChIKey | RRIRDPSOCUCGBV-UHFFFAOYSA-N |
| SMILES | O1C2=CC=C(CCN)C=C2OC1 |
| CAS Datenbank | 1484-85-1(CAS DataBase Reference) |
Sicherheit & Vorschriften
| GHS-Einstufung | DangerH314 (20%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]P260, P261, P264, P264+P265, P271, P280, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P317, P319, P321, P332+P317, P337+P317, P362+P364, P363, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 5 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.H318 (100%): Causes serious eye damage [Danger Serious eye damage/eye irritation] |
|---|---|
| Hazard Classes and Categories | Skin Corr. 1C (20%)Eye Dam. 1 (100%) |
| Wassergefährdungsklasse (WGK) | WGK 3 |
| UN-Transportnummer | UN2735 |
| Zollcode | 29213000 |
| R-Sätze (R) | 41 |
| Gefahrensymbole | Xi |
| Sicherheitshinweise (S) | 26-39-24/25 |
| Gefahrenklasse | 8Eye Dam. 1 |
| Lagerklasse | 11 - Combustible Solids |
Anwendungen & Verwendung
Verwenden
An intermediate in the synthesis of pharmaceutical actives, intermediates and other fine chemicals