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3,4-Dimethoxy-N-methylphenethylamin
2-(3,4-dimethoxyphenyl)-N-methylethan-1-amine · 2-(3,4-DIMETHOXYPHENYL)-N-METHYLETHYLAMINE · AURORA KA-7753 · AKOS BBS-00006509 · Verapamil Impurity B · Verapamil EP Impurity B · N-METHYLHOMOVERATRYLAMINE · 3,4-DIMETHOXY-N-METHYLPHENETHYLAMINE
Identifikatoren & physikalische Daten
| CAS No. | 3490-06-0 |
|---|---|
| Summenformel | C11H17NO2 |
| Durchschnittliche Molmasse | 195,26 g/mol |
| Monoisotopische Masse | 195,12592878 g/mol |
| SMILES | CNCCc1ccc(OC)c(OC)c1 |
| InChIKey | HNJWKRMESUMDQE-UHFFFAOYSA-N |
| PubChem CID | 77039 |
| ChEMBL | CHEMBL1404381 |
| EC No. | 222-483-9 |
| DTXSID | DTXSID70188460 |
| Lokaler Name | 3,4-Dimethoxy-N-methylphenethylamin |
Chemische & physikalische Eigenschaften
| XLogP | 1,3 |
|---|---|
| Polarare Oberfläche (TPSA) | 30,5 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 3 |
| Frei drehbare Bindungen | 5 |
| Schwere Atome | 14 |
| Formalladung | 0 |
| Komplexität | 152 |
| Löslichkeit | >29.3 [ug/mL] (The mean of the results at pH 7.4)Chloroform (Soluble), Methanol (Soluble) |
| Siedepunkt | 160-161 °C13 mm Hg(lit.) |
| Dichte | 1.059 g/mL at 25 °C(lit.) |
| Brechungsindex | n20/D 1.533(lit.) |
| Flammpunkt | >230 °F |
| pKa (Säurekonstante) | 10.16±0.10(Predicted) |
| Aggregatzustand | Oil |
| Farbe | Colourless to Pale Yellow |
| LogP (Verteilungskoeffizient) | 1.304 |
| CAS Datenbank | 3490-06-0(CAS DataBase Reference) |
Sicherheit & Vorschriften
| GHS-Einstufung | DangerH302 (59.8%): Harmful if swallowed [Warning Acute toxicity, oral]P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P305+P354+P338, P317, 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 174 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Regulatorische Informationen | Status: Active Update: 11-06-2013 https://echa.europa.eu/registration-dossier/-/registered-dossier/6861 |
| Hazard Classes and Categories | Acute Tox. 4 (59.8%) |
| Wassergefährdungsklasse (WGK) | 3 |
| UN-Transportnummer | 1760 |
| Zollcode | 29222990 |
| R-Sätze (R) | 36/37/38 |
| Gefahrensymbole | Xi |
| Sicherheitshinweise (S) | 26-37/39 |
| Gefahrenklasse | 8 |
| Verpackungsgruppe | III |
Anwendungen & Verwendung
Verwenden
Fundamental synthetic intermediate, N-Methylhomoveratrylamine can be used for the preparation of a variety of biologically active compounds.