2-(Benzylmethylamino)ethanol
N-Benzyl-N-methylethanolamine
Grundinformationen
- CAS
101-98-4- Standard-SMILES
CN(CCO)Cc1ccccc1- InChIKey
WOUANPHGFPAJCA-UHFFFAOYSA-N- Summenformel
- C10H15NO
- Durchschnittliche Molmasse
- 165,23 g/mol
- Monoisotopische Masse
- 165,1153641
Namen und Bezeichner
- Bevorzugter Name
- N-Benzyl-N-methylethanolamine
- IUPAC
- 2-[benzyl(methyl)amino]ethanol
- Lokaler Name
- 2-(Benzylmethylamino)ethanol
- Englischer Name
- N-Benzyl-N-methylethanolamine
- Summenformel
- C10H15NO
- Molmasse
- 165.23
Namen und Synonyme
101-98-4N-Benzyl-N-methylethanolamineEthanol, 2-[methyl(phenylmethyl)amino]-2-(Benzylmethylamino)ethanolN-Methyl-N-benzylethanolamineN-benzyl-N-methyl-2-aminoethanolEthanol, 2-(benzylmethylamino)-N-Benzyl-N-methyl-ethanolamineEthanol, 2-(methyl(phenylmethyl)amino)-AI3-2679761LYX8089CEINECS 202-994-3
Weitere Namen anzeigen
N-Benzyl-N-methylethanolamine,90%2-[BENZYL(METHYL)AMINO]ACETALDEHYDE2-[methyl(phenylmethyl)amino]-ethanoN-Benzyl-N-MethylNicardipine Impurity87Nicardipine Impurity 6Fluoxetine Impurity 37Fluoxetine Impurity 44
DTXSID5059242.BETA.-(N-BENZYL-N-METHYLAMINO)ETHANOLN-BENZYL-N-METHYL-ETHANOLAMINE [USP-RS]N-BENZYL-N-METHYL-ETHANOLAMINE (USP-RS)RefChem:829216DTXCID8032592Ethanol, 2-methyl(phenylmethyl)amino-BETA-(N-BENZYL-N-METHYLAMINO)ETHANOL
Datenbank-Bezeichner
- CAS
101-98-4- PubChem CID
- 66876
- DTXSID
DTXSID5059242- UNII
- 61LYX8089C
- EC Number
- 202-994-3
- Nikkaji
- J31.140E
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 1,3
- Polarare Oberfläche (TPSA)
- 23,5 Ų
- H-Brücken-Donoren
- 1
- H-Brücken-Akzeptoren
- 2
- Frei drehbare Bindungen
- 4
- Schwere Atome
- 12
- Formalladung
- 0
- Komplexität
- 110
Physikochemische Eigenschaften
- Siedepunkt
- 95 · 95-105 °C2 mm Hg(lit.)
- Dichte
- 1.017 g/mL · 1.017 g/mL at 25 °C(lit.)
- Brechungsindex
- 20 · n20/D 1.529(lit.)
- Flammpunkt
- 230 °F · >230 °F
- storage temp.
- Sealed in dry,Room Temperature
- Löslichkeit
- Chloroform (Slightly), Methanol (Slightly)
- Aggregatzustand
- Oil
- pka
- 14.75 · 14.75±0.10(Predicted)
- Farbe
- Colourless
- BRN
- 366412 · 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 · 101-98-4(CAS DataBase Reference)
- NIST chemische Informationen
- 2 · Ethanol, 2-[methyl(phenylmethyl)amino]-(101-98-4)
Sicherheit und Regulatorisches
Sicherheitsangaben dienen nur zur Orientierung und ersetzen weder das Sicherheitsdatenblatt (SDB) des Lieferanten noch geltende Vorschriften oder eine fachliche Bewertung.
GHS-Klassifizierung
GHS Classification
Warning
H315 (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 46 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Gefahrenhinweise
Regulatory Information
REACH registered substance: 2-(benzylmethylamino)ethanol (EC: 202-994-3)
Ethanol, 2-methyl(phenylmethyl)amino-: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Sicherheitsdaten
- wgk
- 3
- tsca
- TSCA listed
- hs_code
- 2922199090
- risk_code
- 36/37/38
- hazard_code
- Xi
- safety_code
- 26-37/39-24/25
- Speicherklasse
- 10 - Combustible liquids
- Hazard Classifications
- Eye Irrit. 2Skin Irrit. 2STOT SE 3
Chemie und Industrie
Verwendung und Herstellung
General Manufacturing InformationEthanol, 2-[methyl(phenylmethyl)amino]-: ACTIVE
Anwendungen
BeschreibungN-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.
Verwenden2-[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.
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