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3-Isopropoxypropylamin
IPOPA · ATOFINA IPOPA · FENTAMINE OPA-3 · 3-Isopropoxypropylam · Isopropoxypropylamine · 3-ISOPROPOXYPROPYLAMINE · Isopropyloxypropyl amine · 3-Isopropoxy-1-propanamine
Identifikatoren & physikalische Daten
| CAS No. | 2906-12-9 |
|---|---|
| Summenformel | C6H15NO |
| Durchschnittliche Molmasse | 117,19 g/mol |
| Monoisotopische Masse | 117,1153641 g/mol |
| SMILES | CC(C)OCCCN |
| InChIKey | VHYUNSUGCNKWSO-UHFFFAOYSA-N |
| PubChem CID | 76194 |
| EC No. | 220-816-2 |
| DTXSID | DTXSID9062699 |
| Lokaler Name | 3-Isopropoxypropylamin |
Chemische & physikalische Eigenschaften
| XLogP | 0,3 |
|---|---|
| Polarare Oberfläche (TPSA) | 35,3 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 2 |
| Frei drehbare Bindungen | 4 |
| Schwere Atome | 8 |
| Formalladung | 0 |
| Komplexität | 45,8 |
| Schmelzpunkt | -65 °C |
| Siedepunkt | 78-79 °C85 mm Hg(lit.) |
| Dichte | 0.845 g/mL at 25 °C(lit.) |
| Brechungsindex | n20/D 1.4195(lit.) |
| Flammpunkt | 42 °C |
| Lagerbedingungen | Flammables area |
| pKa (Säurekonstante) | 9.82±0.10(Predicted) |
| Aggregatzustand | clear liquid |
| Farbe | Colorless to Light yellow |
| Löslichkeit | miscible |
| InChI | 1S/C6H15NO/c1-6(2)8-5-3-4-7/h6H,3-5,7H2,1-2H3 |
| InChIKey | VHYUNSUGCNKWSO-UHFFFAOYSA-N |
| SMILES | CC(C)OCCCN |
| CAS Datenbank | 2906-12-9(CAS DataBase Reference) |
| NIST chemische Informationen | 3-Isopropoxypropylamine(2906-12-9) |
| EPA chemische Informationen | 1-Propanamine, 3-(1-methylethoxy)- (2906-12-9) |
Sicherheit & Vorschriften
| GHS-Einstufung | DangerH226 (100%): Flammable liquid and vapor [Warning Flammable liquids]P210, P233, P240, P241, P242, P243, P260, P261, P264, P264+P265, P270, P271, P272, P273, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P303+P361+P353, P304+P340, P305+P354+P338, P316, P317, P319, P321, P330, P333+P317, P362+P364, P363, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 153 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Regulatorische Informationen | Status: Active Update: 21-12-2017 https://echa.europa.eu/registration-dossier/-/registered-dossier/21379 |
| Hazard Classes and Categories | Flam. Liq. 3 (100%) |
| Wassergefährdungsklasse (WGK) | 1 |
| TSCA-Inventar-Status | TSCA listed |
| UN-Transportnummer | UN 2734 8/PG 1 |
| Zollcode | 29221990 |
| R-Sätze (R) | 10-35-34 |
| Gefahrensymbole | C |
| Sicherheitshinweise (S) | 16-23-26-27-36/37/39-45 |
| Gefahrenklasse | 3Aquatic Chronic 3Eye Dam. 1Flam. Liq. 3Skin Corr. 1A |
| Verpackungsgruppe | III |
| Lagerklasse | 3 - Flammable liquids |
Anwendungen & Verwendung
Verwenden
3-Isopropoxypropylamine may be used as a reactant in the preparation of:1-alcoxyalkyl-5-aryl-4-acyl-3-hydroxy-3-pyrrolin-2-ones1-(p-sulfamyl)-phenyl-5-oxo-3-pyrrolidine carboxylic acid derivativeethyl 1,4-dihydro-1-(3-isopropoxypropyl)-4-oxo-3-quinolinecarboxylate