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Bis(2,4-dimethoxybenzyl)amin
Einecs 244-037-2 · Bis(2,4-dimethoxybenzyl) · Bis(2,4-dimethoxybenyl)amine · Bis(2,4-dimethoxybenzyl)amine · Bis(2,4-dimenthoxybenzyl)amine · 2,2',4,4'TETRAMETHOXYDIBENZYLAMINE · bis[(2,4-diMethoxyphenyl)Methyl]aMine · Benzenemethanamine, N-(2,4-dimethoxyphenyl)methyl-2,4-dimethoxy-
Identifikatoren & physikalische Daten
| CAS No. | 20781-23-1 |
|---|---|
| Summenformel | C18H23NO4 |
| Durchschnittliche Molmasse | 317,4 g/mol |
| Monoisotopische Masse | 317,16270822 g/mol |
| SMILES | COc1ccc(CNCc2ccc(OC)cc2OC)c(OC)c1 |
| InChIKey | IZWMZVDEYOKQCG-UHFFFAOYSA-N |
| PubChem CID | 88696 |
| ChEMBL | CHEMBL6001316 |
| EC No. | 244-037-2 |
| DTXSID | DTXSID00174871 |
| Lokaler Name | Bis(2,4-dimethoxybenzyl)amin |
Chemische & physikalische Eigenschaften
| XLogP | 2,7 |
|---|---|
| Polarare Oberfläche (TPSA) | 49 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 5 |
| Frei drehbare Bindungen | 8 |
| Schwere Atome | 23 |
| Formalladung | 0 |
| Komplexität | 298 |
| Siedepunkt | 443.5±40.0 °C(Predicted) |
| Dichte | 1.102±0.06 g/cm3(Predicted) |
| Lagerbedingungen | Keep in dark place,Sealed in dry,Room Temperature |
| pKa (Säurekonstante) | 7.90±0.20(Predicted) |
| InChI | InChI=1S/C18H23NO4/c1-20-15-7-5-13(17(9-15)22-3)11-19-12-14-6-8-16(21-2)10-18(14)23-4/h5-10,19H,11-12H2,1-4H3 |
| InChIKey | IZWMZVDEYOKQCG-UHFFFAOYSA-N |
| SMILES | C1(CNCC2=CC=C(OC)C=C2OC)=CC=C(OC)C=C1OC |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Regulatorische Informationen | Bis(2,4-dimethoxybenzyl)amine: Does not have an individual approval but may be used under an appropriate group standard |
| Hazard Classes and Categories | Skin Irrit. 2 (100%) |
| Zollcode | 2922290090 |
Anwendungen & Verwendung
Verwenden
Bis(2,4-Dimethoxybenzyl)amine is used in the preparation of TLR8 agonists.