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3-Butoxypropylamin
3-BUTOXYPROPYLAMINE · 3-Butoxypropan-1-amine · 3BOPA · BP-NH2 · FENTAMINE OPA-4 · 3-butoxypropanamine · RARECHEM AL BW 0499 · 3-butoxy-1-propanamin
Identifikatoren & physikalische Daten
| CAS No. | 16499-88-0 |
|---|---|
| Summenformel | C7H17NO |
| Durchschnittliche Molmasse | 131,22 g/mol |
| Monoisotopische Masse | 131,13101416 g/mol |
| SMILES | CCCCOCCCN |
| InChIKey | LPUBRQWGZPPVBS-UHFFFAOYSA-N |
| PubChem CID | 85461 |
| EC No. | 240-566-8 |
| DTXSID | DTXSID6066070 |
| Lokaler Name | 3-Butoxypropylamin |
Chemische & physikalische Eigenschaften
| XLogP | 0,7 |
|---|---|
| Polarare Oberfläche (TPSA) | 35,3 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 2 |
| Frei drehbare Bindungen | 6 |
| Schwere Atome | 9 |
| Formalladung | 0 |
| Komplexität | 48,2 |
| Schmelzpunkt | -65 °C |
| Siedepunkt | 169-170 °C/756 mmHg (lit.) |
| Dichte | 0.853 g/mL at 25 °C (lit.) |
| Dampfdruck | 1.29hPa at 20℃ |
| Brechungsindex | n20/D 1.426(lit.) |
| Flammpunkt | 146 °F |
| Lagerbedingungen | 2-8°C |
| Aggregatzustand | clear liquid |
| pKa (Säurekonstante) | 9.77±0.10(Predicted) |
| Farbe | Colorless to Light yellow |
| Löslichkeit | miscible |
| InChI | 1S/C7H17NO/c1-2-3-6-9-7-4-5-8/h2-8H2,1H3 |
| InChIKey | LPUBRQWGZPPVBS-UHFFFAOYSA-N |
| SMILES | CCCCOCCCN |
| LogP (Verteilungskoeffizient) | 1.05 at 20℃ |
| CAS Datenbank | 16499-88-0(CAS DataBase Reference) |
| NIST chemische Informationen | 3-Butoxypropylamine(16499-88-0) |
| EPA chemische Informationen | 1-Propanamine, 3-butoxy- (16499-88-0) |
Sicherheit & Vorschriften
| GHS-Einstufung | This chemical does not meet GHS hazard criteria for 33.9% (37 of 109) of reports.DangerH301 (21.1%): Toxic if swallowed [Danger Acute toxicity, oral]P260, P264, P264+P265, P270, P280, P301+P316, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P330, P363, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 109 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Regulatorische Informationen | 1-Propanamine, 3-butoxy- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 1-Propanamine, 3-butoxy- are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)Status: Active Update: 12-11-2020 https://echa.europa.eu/registration-dossier/-/registered-dossier/26854 |
| Hazard Classes and Categories | Acute Tox. 3 (21.1%) |
| Wassergefährdungsklasse (WGK) | 3 |
| TSCA-Inventar-Status | TSCA listed |
| UN-Transportnummer | UN 2735 8/PG 2 |
| Zollcode | 29221990 |
| R-Sätze (R) | 34 |
| Gefahrensymbole | C |
| Sicherheitshinweise (S) | 26-27-36/37/39-45 |
| Gefahrenklasse | 8Skin Corr. 1B |
| Verpackungsgruppe | III |
| Lagerklasse | 8A - Combustible corrosive hazardous materials |
Anwendungen & Verwendung
Verwenden
3-Butoxypropylamine may be used in the synthesis of N-functionalized bis(phosphino)amine ligands with ether, thioether and pyridyl tethers.