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1,1-Dibutoxytrimethylamin
SKL1152 · 1,1-DIBUTOXYTRIMETHYLAMINE · dibutoxymethyl(dimethyl)amine · α,α-Dibutoxy-N,N-dimethylmethanamine · 1,1-Dibutoxy-N,N-dimethylmethanamine · 1,1-DIBUTOXY-N,N-DIMETHYLMETHYLAMINE · N,N-DIMETHYLFORMAMIDE DIBUTYL ACETAL · N,N-DIMETHYLFORMAMIDE DI-N-BUTYL ACETAL
Identifikatoren & physikalische Daten
| CAS No. | 18503-90-7 |
|---|---|
| Summenformel | C11H25NO2 |
| Durchschnittliche Molmasse | 203,32 g/mol |
| Monoisotopische Masse | 203,18852904 g/mol |
| SMILES | CCCCOC(OCCCC)N(C)C |
| InChIKey | GSFFXKGTGPMVLM-UHFFFAOYSA-N |
| PubChem CID | 87683 |
| EC No. | 242-387-0 |
| DTXSID | DTXSID80171702 |
| Lokaler Name | 1,1-Dibutoxytrimethylamin |
Chemische & physikalische Eigenschaften
| XLogP | 2,7 |
|---|---|
| Polarare Oberfläche (TPSA) | 21,7 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 3 |
| Frei drehbare Bindungen | 9 |
| Schwere Atome | 14 |
| Formalladung | 0 |
| Komplexität | 108 |
| Siedepunkt | 93 °C12 mm Hg(lit.) |
| Dichte | 0.853 g/mL at 20 °C(lit.) |
| Brechungsindex | n20/D 1.417 |
| Flammpunkt | 53°C |
| pKa (Säurekonstante) | 5.22±0.50(Predicted) |
| Aggregatzustand | clear liquid |
| Farbe | Colorless to Almost colorless |
| Wichte | 0.852 |
| BRN | 1098693 |
| InChI | InChI=1S/C11H25NO2/c1-5-7-9-13-11(12(3)4)14-10-8-6-2/h11H,5-10H2,1-4H3 |
| InChIKey | GSFFXKGTGPMVLM-UHFFFAOYSA-N |
| SMILES | C(OCCCC)(OCCCC)N(C)C |
| CAS Datenbank | 18503-90-7(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 | 2924.19.8000 |
| R-Sätze (R) | 10-36/37/38 |
| 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 dibutyl acetal is the suitable reagent used for the simultaneous quantification of cocaine and its primary metabolite, benzoyl ecgonine, from a urine matrix by gas-chromatography. It may be used as reagent for the esterification of fatty acids.