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Bis(4-methoxybenzyl)amine
dianisylamine · N,N-bis(4-methoxybenzyl)amine · 1-(4-methoxyphenyl)-N-[(4-methoxyphenyl)methyl]methanamine · CHEMBRDG-BB 5550428 · Bis(4-methoxybenzyl) · N-Bis(4-methoxybenzyl)amine · Bis-(4-methoxy-benzyl)-amine · Bis(4-methoxybenzyl)amine,97%
Identifikatoren & physikalische Daten
| CAS No. | 17061-62-0 |
|---|---|
| Summenformel | C16H19NO2 |
| Durchschnittliche Molmasse | 257,33 g/mol |
| Monoisotopische Masse | 257,14157885 g/mol |
| SMILES | COc1ccc(CNCc2ccc(OC)cc2)cc1 |
| InChIKey | HBKPDEWGANZHJO-UHFFFAOYSA-N |
| PubChem CID | 714952 |
| ChEMBL | CHEMBL1625290 |
| ChEBI | CHEBI:195038 |
| EC No. | 810-785-9 |
| DTXSID | DTXSID00351948 |
Chemische & physikalische Eigenschaften
| XLogP | 2,7 |
|---|---|
| Polarare Oberfläche (TPSA) | 30,5 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 3 |
| Frei drehbare Bindungen | 6 |
| Schwere Atome | 19 |
| Formalladung | 0 |
| Komplexität | 207 |
| Schmelzpunkt | 35-37℃ |
| Siedepunkt | 384℃ |
| Dichte | 1.073 |
| Flammpunkt | 161℃ |
| Lagerbedingungen | 2-8°C(protect from light) |
| Löslichkeit | Chloroform (Slightly), Methanol (Slightly) |
| Aggregatzustand | Solid |
| pKa (Säurekonstante) | 9.55±0.20(Predicted) |
| Farbe | White to Off-White |
| InChI | InChI=1S/C16H19NO2/c1-18-15-7-3-13(4-8-15)11-17-12-14-5-9-16(19-2)10-6-14/h3-10,17H,11-12H2,1-2H3 |
| InChIKey | HBKPDEWGANZHJO-UHFFFAOYSA-N |
| SMILES | C1(CNCC2=CC=C(OC)C=C2)=CC=C(OC)C=C1 |
Sicherheit & Vorschriften
| GHS-Einstufung | DangerH314 (80%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]H315 (20%): Causes skin irritation [Warning Skin corrosion/irritation]H318 (40%): Causes serious eye damage [Danger Serious eye damage/eye irritation]H319 (20%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]P260, P264, P264+P265, P280, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P317, P321, P332+P317, P337+P317, P362+P364, P363, 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.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. |
|---|---|
| Regulatorische Informationen | Status: Active Update: 12-01-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/33122 |
| Hazard Classes and Categories | Skin Corr. 1C (80%)Skin Irrit. 2 (20%)Eye Dam. 1 (40%)Eye Irrit. 2 (20%) |
| Zollcode | 2922190090 |
| Gefahrensymbole | Xi |
| Gefahrenklasse | 8 |
Anwendungen & Verwendung
Verwenden
N,N-Bis(4-methoxybenzyl)amine acts as a reagent for the synthesis and biological evaluation of pentanedioc acid derivatives as farnesyltransferase inhibitors. Also used in the preparation of (heteroarylamino)triazolamines as antiviral agents useful in the treatment of HCV infection.