HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
N-(tert-Butoxycarbonyl)-N-methyl-2-aminoethanol
tert-Butyl 2-hydroxyethyl(methyl)carbamate · Boc,Me-Glycinol · N-Boc-N-methyl-aminoethanol · N-T-BUTYLOXYCARBONYL-N-METHYL-AMINOETHANOL · TERT-BUTYL N-(2-HYDROXYETHYL)-N-METHYLCARBAMATE · (2-HYDROXY-ETHYL)-METHYL-CARBAMIC ACID TERT-BUTYL ESTER · AKOS 92083 · Boc-Sar-OL
Identifikatoren & physikalische Daten
| CAS No. | 57561-39-4 |
|---|---|
| Summenformel | C8H17NO3 |
| Durchschnittliche Molmasse | 175,23 g/mol |
| Monoisotopische Masse | 175,1208434 g/mol |
| SMILES | CN(CCO)C(=O)OC(C)(C)C |
| InChIKey | RFDSJHHLGFFVHD-UHFFFAOYSA-N |
| PubChem CID | 545700 |
| EC No. | 805-204-0 |
| DTXSID | DTXSID00337964 |
Chemische & physikalische Eigenschaften
| XLogP | 0,4 |
|---|---|
| Polarare Oberfläche (TPSA) | 49,8 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 3 |
| Frei drehbare Bindungen | 4 |
| Schwere Atome | 12 |
| Formalladung | 0 |
| Komplexität | 151 |
| Siedepunkt | 120-126°C 4mm |
| Dichte | 1.037±0.06 g/cm3(Predicted) |
| Brechungsindex | 1.4410 to 1.4460 |
| Lagerbedingungen | Sealed in dry,Store in freezer, under -20°C |
| Löslichkeit | Chloroform (Slightly), Methanol (Slightly)Soluble in diochloromethane. Slightly soluble in water. |
| pKa (Säurekonstante) | 14.67±0.10(Predicted) |
| Aggregatzustand | Liquid |
| Farbe | Colorless to pale yellow |
| InChI | InChI=1S/C8H17NO3/c1-8(2,3)12-7(11)9(4)5-6-10/h10H,5-6H2,1-4H3 |
| InChIKey | RFDSJHHLGFFVHD-UHFFFAOYSA-N |
| SMILES | C(OC(C)(C)C)(=O)N(CCO)C |
Sicherheit & Vorschriften
| GHS-Einstufung | This chemical does not meet GHS hazard criteria for 2.4% (1 of 41) of reports.DangerH301 (92.7%): Toxic if swallowed [Danger Acute toxicity, oral]P264, P270, P301+P316, P321, P330, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 41 reports by companies from 4 notifications to the ECHA C&L Inventory. |
|---|---|
| Hazard Classes and Categories | Acute Tox. 3 (92.7%) |
| Zollcode | 2924297099 |
| Sicherheitshinweise (S) | 24/25 |
Anwendungen & Verwendung
Verwenden
N-Boc-N-methylethanolamine is an substituent in the synthesis of anticancer agent, an orally bioavailable small molecule inhibitor of signal transducer and activator of transcription.