HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
1-(4-methoxyphenyl)-N-methylmethanamine
1-(4-methoxyphenyl)-N-methylmethanamine · 4-METHOXY-N-METHYLBENZYLAMINE · )-N-MethyL · AKOS BC-0897 · JACS-702-24-9 · N-(4-Methoxybenzyl)- · N-Methyl-4-methoxybenzylamine · (4-METHOXY-BENZYL)-METHYL-AMINE
Identifikatoren & physikalische Daten
| CAS No. | 702-24-9 |
|---|---|
| Summenformel | C9H13NO |
| Durchschnittliche Molmasse | 151,21 g/mol |
| Monoisotopische Masse | 151,09971404 g/mol |
| SMILES | CNCc1ccc(OC)cc1 |
| InChIKey | AIJFPNKGGAPZFJ-UHFFFAOYSA-N |
| PubChem CID | 485407 |
| ChEMBL | CHEMBL1178119 |
| EC No. | 662-855-1 |
| DTXSID | DTXSID80220466 |
Chemische & physikalische Eigenschaften
| XLogP | 1,4 |
|---|---|
| Polarare Oberfläche (TPSA) | 21,3 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 2 |
| Frei drehbare Bindungen | 3 |
| Schwere Atome | 11 |
| Formalladung | 0 |
| Komplexität | 97,7 |
| Schmelzpunkt | 238 °C |
| Siedepunkt | 88 °C |
| Dichte | 1.008 g/mL at 25 °C |
| Brechungsindex | n20/D1.529 |
| Flammpunkt | 109℃ |
| Lagerbedingungen | 2-8°C |
| Löslichkeit | Chloroform (Slightly), Methanol (Slightly) |
| Aggregatzustand | Oil |
| pKa (Säurekonstante) | 10.14±0.10(Predicted) |
| Farbe | Clear Beige |
| InChI | InChI=1S/C9H13NO/c1-10-7-8-3-5-9(11-2)6-4-8/h3-6,10H,7H2,1-2H3 |
| InChIKey | AIJFPNKGGAPZFJ-UHFFFAOYSA-N |
| SMILES | C1(CNC)=CC=C(OC)C=C1 |
| CAS Datenbank | 702-24-9(CAS DataBase Reference) |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH302 (93.2%): Harmful if swallowed [Warning Acute toxicity, oral]P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 44 reports by companies from 7 notifications to the ECHA C&L Inventory. |
|---|---|
| Regulatorische Informationen | Status: Cease Manufacture Update: 04-10-2016 https://echa.europa.eu/registration-dossier/-/registered-dossier/18136 |
| Hazard Classes and Categories | Acute Tox. 4 (93.2%) |
| Wassergefährdungsklasse (WGK) | 1 |
| UN-Transportnummer | UN 2735 8/PG III |
| Zollcode | 2921490090 |
| R-Sätze (R) | 36/37/38-34-22 |
| Gefahrensymbole | C,Xn |
| Sicherheitshinweise (S) | 26-36/37/39 |
| Gefahrenklasse | 8 |
| Verpackungsgruppe | III |
Anwendungen & Verwendung
Verwenden
N-(4-Methoxybenzyl)-N-methylamine is used in the synthetic preparation of many types of compounds, including the synthesis of trifluoromethyl-sulfonimidamides from sulfinamides as well as the preparation of piperazinylquinazoline amine compounds as toll-like receptor 9 signaling antagonists for treatment of immune disorders.