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N,N,N-Trimethyl-1,1-bis(1-methylethoxy)amin
1,1-DIISOPROPOXYTRIMETHYLAMINE · SKL1154 · diisopropoxymethyl(dimethyl)amine · Dimethyl(diisopropoxymethyl)amine · diisopropoxy-N,N-dimethylmethanamine · N,N-Dimethylformamide dimethylacetate · 1,1‐Bis‐(1‐methylethoxy)‐trimethylamine · 1,1-diisopropoxy-n,n-dimethylmethylamine
Identifikatoren & physikalische Daten
| CAS No. | 18503-89-4 |
|---|---|
| Summenformel | C9H21NO2 |
| Durchschnittliche Molmasse | 175,27 g/mol |
| Monoisotopische Masse | 175,15722891 g/mol |
| SMILES | CC(C)OC(OC(C)C)N(C)C |
| InChIKey | XOZZATXWQMOVHL-UHFFFAOYSA-N |
| PubChem CID | 87682 |
| EC No. | 242-386-5 |
| DTXSID | DTXSID20171701 |
| Lokaler Name | N,N,N-Trimethyl-1,1-bis(1-methylethoxy)amin |
Chemische & physikalische Eigenschaften
| XLogP | 1,8 |
|---|---|
| Polarare Oberfläche (TPSA) | 21,7 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 3 |
| Frei drehbare Bindungen | 5 |
| Schwere Atome | 12 |
| Formalladung | 0 |
| Komplexität | 103 |
| Siedepunkt | 79-80 °C60 mm Hg(lit.) |
| Dichte | 0.838 g/mL at 25 °C(lit.) |
| Brechungsindex | n20/D 1.409(lit.) |
| Flammpunkt | 74 °F |
| Lagerbedingungen | -20°C, protect from light |
| Aggregatzustand | liquid |
| pKa (Säurekonstante) | 5.47±0.50(Predicted) |
| BRN | 1901978 |
| InChI | InChI=1S/C9H21NO2/c1-7(2)11-9(10(5)6)12-8(3)4/h7-9H,1-6H3 |
| InChIKey | XOZZATXWQMOVHL-UHFFFAOYSA-N |
| SMILES | C(OC(C)C)(OC(C)C)N(C)C |
| CAS Datenbank | 18503-89-4(CAS DataBase Reference) |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH226 (100%): Flammable liquid and vapor [Warning Flammable liquids]P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P271, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 40 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Hazard Classes and Categories | Flam. Liq. 3 (100%) |
| Wassergefährdungsklasse (WGK) | 3 |
| UN-Transportnummer | UN 1993 3/PG 3 |
| Zollcode | 2922190090 |
| R-Sätze (R) | 36/37/38-10 |
| Gefahrensymbole | Xi |
| Sicherheitshinweise (S) | 26-36 |
| Gefahrenklasse | 3.2Eye Irrit. 2Flam. Liq. 3Skin Irrit. 2STOT SE 3 |
| Verpackungsgruppe | III |
| Lagerklasse | 3 - Flammable liquids |
Anwendungen & Verwendung
Verwenden
N,N-Dimethylformamide diisopropyl acetal was used in the quantification of cocaine and its metabolite, benzoyl ecgonine from urine matrix.