2-(Benzylmethylamino)ethanol
Ethanol, 2-(benzylmethylamino)- · N-Benzyl-N-methyl-2-aminoethanol · N-Benzyl-N-methylethanolamine,90% · 2-[BENZYL(METHYL)AMINO]ACETALDEHYDE · 2-[methyl(phenylmethyl)amino]-ethano · N-Benzyl-N-Methyl · Nicardipine Impurity87 · Nicardipine Impurity 6
Identifikatoren & physikalische Daten
| CAS No. | 101-98-4 |
|---|---|
| Summenformel | C10H15NO |
| Durchschnittliche Molmasse | 165,23 g/mol |
| Monoisotopische Masse | 165,1153641 g/mol |
| SMILES | CN(CCO)Cc1ccccc1 |
| InChIKey | WOUANPHGFPAJCA-UHFFFAOYSA-N |
| PubChem CID | 66876 |
| EC No. | 202-994-3 |
| DTXSID | DTXSID5059242 |
| Lokaler Name | 2-(Benzylmethylamino)ethanol |
Chemische & physikalische Eigenschaften
| XLogP | 1,3 |
|---|---|
| Polarare Oberfläche (TPSA) | 23,5 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 2 |
| Frei drehbare Bindungen | 4 |
| Schwere Atome | 12 |
| Formalladung | 0 |
| Komplexität | 110 |
| Kovats Retention Index | 1328.7 |
| Siedepunkt | 95-105 °C2 mm Hg(lit.) |
| Dichte | 1.017 g/mL at 25 °C(lit.) |
| Brechungsindex | n20/D 1.529(lit.) |
| Flammpunkt | >230 °F |
| Lagerbedingungen | Sealed in dry,Room Temperature |
| Löslichkeit | Chloroform (Slightly), Methanol (Slightly) |
| Aggregatzustand | Oil |
| pKa (Säurekonstante) | 14.75±0.10(Predicted) |
| Farbe | Colourless |
| BRN | 366412 |
| InChI | InChI=1S/C10H15NO/c1-11(7-8-12)9-10-5-3-2-4-6-10/h2-6,12H,7-9H2,1H3 |
| InChIKey | WOUANPHGFPAJCA-UHFFFAOYSA-N |
| SMILES | C(O)CN(C)CC1=CC=CC=C1 |
| CAS Datenbank | 101-98-4(CAS DataBase Reference) |
| NIST chemische Informationen | Ethanol, 2-[methyl(phenylmethyl)amino]-(101-98-4) |
| EPA chemische Informationen | Ethanol, 2-[methyl(phenylmethyl)amino]- (101-98-4) |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]H319 (97.8%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]H335 (97.8%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposureRespiratory tract 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 46 reports by companies from 6 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: 26-03-2019 https://echa.europa.eu/registration-dossier/-/registered-dossier/20045Ethanol, 2-methyl(phenylmethyl)amino-: Does not have an individual approval but may be used under an appropriate group standard |
| Hazard Classes and Categories | Skin Irrit. 2 (100%)Eye Irrit. 2 (97.8%)STOT SE 3 (97.8%) |
| Wassergefährdungsklasse (WGK) | 3 |
| TSCA-Inventar-Status | TSCA listed |
| Zollcode | 29214990 |
| R-Sätze (R) | 36/37/38 |
| Gefahrensymbole | Xi |
| Sicherheitshinweise (S) | 26-37/39-24/25 |
| Lagerklasse | 10 - Combustible liquids |
| Gefahrenklasse | Eye Irrit. 2Skin Irrit. 2STOT SE 3 |
Anwendungen & Verwendung
Beschreibung
N-Benzyl-N-methylethanolamine is a surfactant that has a high capacity for adsorbing proteins. It is used as an efficient method to remove impurities from human immunoglobulin preparations and as an adsorbent in chromatographic methods. N-Benzyl-N-methylethanolamine has also been used as a diagnostic agent for the detection of chromatographically separated monoclonal antibodies, which are produced by activated B cells in culture. The antibody binds to the target protein and then the antibody-protein complex is isolated using a particle agglomeration technique. This method can be repeated multiple times and produce high concentrations of pure monoclonal antibodies.
Verwenden
2-[Methyl(phenylmethyl)amino]ethanol is used in the preparation of dihydropyrimidinones as sodium iodide symporter inhibitors used to regulate the accumulation of iodide in the thyroid gland. Also used in the synthesis of new class of pseudopeptides as potential inhibitors of β-sheet aggregation.