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Propanolamine ethyl ether
Propanolamine ethyl ether · 3EOPA · 3-EthoxypropyL · FENTAMINE OPA-2 · 3-ETHOXYPROPYLAMINE · 3-ethoxy-propylamin · RARECHEM AL BW 0232 · 3-Ethoxypropanamine
Identifikatoren & physikalische Daten
| CAS No. | 6291-85-6 |
|---|---|
| Summenformel | C5H13NO |
| Durchschnittliche Molmasse | 103,16 g/mol |
| Monoisotopische Masse | 103,09971404 g/mol |
| SMILES | CCOCCCN |
| InChIKey | SOYBEXQHNURCGE-UHFFFAOYSA-N |
| PubChem CID | 22720 |
| EC No. | 228-545-1 |
| DTXSID | DTXSID0064202 |
Chemische & physikalische Eigenschaften
| XLogP | -0,1 |
|---|---|
| Polarare Oberfläche (TPSA) | 35,3 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 2 |
| Frei drehbare Bindungen | 4 |
| Schwere Atome | 7 |
| Formalladung | 0 |
| Komplexität | 31,3 |
| Schmelzpunkt | -70 °C |
| Siedepunkt | 136-138 °C (lit.) |
| Dichte | 0.861 g/mL at 25 °C (lit.) |
| Brechungsindex | n20/D 1.418(lit.) |
| Flammpunkt | 91 °F |
| Lagerbedingungen | Flammables area |
| pKa (Säurekonstante) | 9.79±0.10(Predicted) |
| Aggregatzustand | clear liquid |
| Farbe | Colorless to Almost colorless |
| pH | 12 (100g/l, H2O, 20℃) |
| Explosionsgrenze | 0.8-8.1%(V) |
| Löslichkeit | miscible |
| BRN | 1732287 |
| InChI | 1S/C5H13NO/c1-2-7-5-3-4-6/h2-6H2,1H3 |
| InChIKey | SOYBEXQHNURCGE-UHFFFAOYSA-N |
| SMILES | CCOCCCN |
| CAS Datenbank | 6291-85-6(CAS DataBase Reference) |
| NIST chemische Informationen | 1-Propanamine, 3-ethoxy-(6291-85-6) |
| EPA chemische Informationen | 1-Propanamine, 3-ethoxy- (6291-85-6) |
Sicherheit & Vorschriften
| GHS-Einstufung | DangerH226 (100%): Flammable liquid and vapor [Warning Flammable liquids]P210, P233, P240, P241, P242, P243, P260, P264, P270, P280, P301+P317, P301+P330+P331, P302+P361+P354, P303+P361+P353, P304+P340, P305+P354+P338, P316, P321, P330, P363, P370+P378, P403+P235, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 48 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Regulatorische Informationen | Chemical: 1-Propanamine, 3-ethoxy-Status: No longer Valid Update: 22-06-2020 https://echa.europa.eu/registration-dossier/-/registered-dossier/11435 |
| Hazard Classes and Categories | Flam. Liq. 3 (100%) |
| Wassergefährdungsklasse (WGK) | 1 |
| TSCA-Inventar-Status | TSCA listed |
| UN-Transportnummer | UN 2734 8/PG 2 |
| Zollcode | 29221990 |
| RTECS-Nr. | UI2700000 |
| R-Sätze (R) | 10-22-34-35 |
| Gefahrensymbole | C |
| Sicherheitshinweise (S) | 26-36/37/39-45-36-28A-23-16 |
| Gefahrenklasse | 3Acute Tox. 4 InhalationAcute Tox. 4 OralEye Dam. 1Flam. Liq. 3Skin Corr. 1B |
| Verpackungsgruppe | III |
| Lagerklasse | 3 - Flammable liquids |
Anwendungen & Verwendung
Verwenden
It is employed as an intermediate used in the production of dyestuff and cosmetics. It is also used to partially open the rigid oxetane chain and to identify Hsp70 modulators.