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o-Aminophenethylalkohol
2-AMINOPHENETHYL ALCOHOL · 2-(2-AMINOPHENYL)ETHANOL · O-phenyl ethanol · 2-AminophenethyL · 2-AMINOPHENETHANOL · 2-Aminophenylethanol · 2-aminobenzeneethanol · 2-amino-benzeneethano
Identifikatoren & physikalische Daten
| CAS No. | 5339-85-5 |
|---|---|
| Summenformel | C8H11NO |
| Durchschnittliche Molmasse | 137,18 g/mol |
| Monoisotopische Masse | 137,08406397 g/mol |
| SMILES | Nc1ccccc1CCO |
| InChIKey | ILDXSRFKXABMHH-UHFFFAOYSA-N |
| PubChem CID | 79282 |
| ChEMBL | CHEMBL4095436 |
| EC No. | 226-275-9 |
| DTXSID | DTXSID20201557 |
| Lokaler Name | o-Aminophenethylalkohol |
Chemische & physikalische Eigenschaften
| XLogP | 0,5 |
|---|---|
| Polarare Oberfläche (TPSA) | 46,3 |
| H-Brücken-Donoren | 2 |
| H-Brücken-Akzeptoren | 2 |
| Frei drehbare Bindungen | 2 |
| Schwere Atome | 10 |
| Formalladung | 0 |
| Komplexität | 95,3 |
| Schmelzpunkt | 140-145 °C |
| Siedepunkt | 147-148 °C/3.5 mmHg (lit.) |
| Dichte | 1.045 g/mL at 25 °C (lit.) |
| Brechungsindex | n20/D 1.588(lit.) |
| Flammpunkt | >230 °F |
| Lagerbedingungen | under inert gas (nitrogen or Argon) at 2–8 °C |
| Aggregatzustand | clear liquid |
| pKa (Säurekonstante) | 14.81±0.10(Predicted) |
| Farbe | Light yellow to Yellow to Orange |
| InChI | InChI=1S/C8H11NO/c9-8-4-2-1-3-7(8)5-6-10/h1-4,10H,5-6,9H2 |
| InChIKey | ILDXSRFKXABMHH-UHFFFAOYSA-N |
| SMILES | C1(CCO)=CC=CC=C1N |
| CAS Datenbank | 5339-85-5(CAS DataBase Reference) |
| NIST chemische Informationen | Benzeneethanol, 2-amino-(5339-85-5) |
Sicherheit & Vorschriften
| GHS-Einstufung | This chemical does not meet GHS hazard criteria for 1.4% (1 of 70) of reports.WarningH302 (40%): Harmful if swallowed [Warning Acute toxicity, oral]P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 70 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Hazard Classes and Categories | Acute Tox. 4 (40%) |
| Wassergefährdungsklasse (WGK) | 3 |
| Zollcode | 2922190090 |
| R-Sätze (R) | 36/37/38 |
| Gefahrensymbole | Xi |
| Sicherheitshinweise (S) | 26-37/39 |
| Lagerklasse | 11 - Combustible Solids |
| Gefahrenklasse | Eye Irrit. 2Skin Irrit. 2STOT SE 3 |
Anwendungen & Verwendung
Verwenden
2-Aminophenethyl alcohol was used in the synthesis of:indole derivativesN-(cyanothioformyl)indolinedihydro-3,1-benzoxazepine