N-Benzyl-N-methylethanolamine (HCID 66876)

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

N-Benzyl-N-methylethanolamine101-98-4Ethanol, 2-[methyl(phenylmethyl)amino]-2-(Benzylmethylamino)ethanolN-Methyl-N-benzylethanolamineEthanol, 2-(benzylmethylamino)-N-Benzyl-N-methyl-ethanolamineEthanol, 2-(methyl(phenylmethyl)amino)-N-benzyl-N-methyl-2-aminoethanol61LYX8089CEINECS 202-994-3AI3-26797

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 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 2
Frei drehbare Bindungen: 4
Schwere Atome: 12
Formalladung: 0
Komplexität: 110

Experimentelle und physikochemische Eigenschaften

Kovats Retention Index1328.7

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)
EPA chemische Informationen: 2 · Ethanol, 2-[methyl(phenylmethyl)amino]- (101-98-4)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Warning

H315 (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 exposure; Respiratory 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.

Gefahrenhinweise

Regulatory Information · 2 Einträge

Status: Active Update: 26-03-2019 https://echa.europa.eu/registration-dossier/-/registered-dossier/20045

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%)；Eye Irrit. 2 (97.8%)；STOT SE 3 (97.8%)

Regulatorische Informationen

Regulatory Information · 2 Einträge

Status: Active Update: 26-03-2019 https://echa.europa.eu/registration-dossier/-/registered-dossier/20045

Ethanol, 2-methyl(phenylmethyl)amino-: Does not have an individual approval but may be used under an appropriate group standard

Sicherheitsdaten

wgk: 3
tsca: TSCA listed
hs_code: 29214990
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 · 2 Einträge

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.