HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
4-(Dimethylamino)butyronitril
NSC 163159 · 4-(DIMETHYLAMINO)BUTYRONITRILE · 4-Dimethylaminobutyronitrile >Butanenitrile, 4-(dimethylamino)-
Identifikatoren & physikalische Daten
| CAS No. | 13989-82-7 |
|---|---|
| Summenformel | C6H12N2 |
| Durchschnittliche Molmasse | 112,17 g/mol |
| Monoisotopische Masse | 112,10004839 g/mol |
| SMILES | CN(C)CCCC#N |
| InChIKey | HCLFLZTVKYHLCF-UHFFFAOYSA-N |
| PubChem CID | 56430 |
| ChEMBL | CHEMBL2448943 |
| EC No. | 237-788-2 |
| DTXSID | DTXSID40161189 |
| Lokaler Name | 4-(Dimethylamino)butyronitril |
Chemische & physikalische Eigenschaften
| XLogP | 0,3 |
|---|---|
| Polarare Oberfläche (TPSA) | 27 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 2 |
| Frei drehbare Bindungen | 3 |
| Schwere Atome | 8 |
| Formalladung | 0 |
| Komplexität | 87 |
| Siedepunkt | 85°C/ 25mm |
| Dichte | 0.874±0.06 g/cm3 (20 ºC 760 Torr) |
| Brechungsindex | 1.4276 (589.3 nm 20℃) |
| Flammpunkt | 60.0±11.9℃ |
| Lagerbedingungen | under inert gas (nitrogen or Argon) at 2-8°C |
| Aggregatzustand | clear liquid |
| pKa (Säurekonstante) | 9.04±0.28(Predicted) |
| Farbe | Colorless to Almost colorless |
Sicherheit & Vorschriften
| UN-Transportnummer | UN 1993 3/PG III |
|---|---|
| Zollcode | 2926907090 |
| Gefahrensymbole | C |
| Gefahrenklasse | CORROSIVE |
| Verpackungsgruppe | III |
Anwendungen & Verwendung
Verwenden
4-(Dimethylamino)benzonitrile(DMABN) can be used in the synthesis of 3,6-diphenyl-2,5-dihydro-pyrrolo[3,4-c]pyrrole-1,4-dione derivatives. DMABN is also used in photophysical studies due to its ability to undergo intramolecular charge transfer (ICT) from the dimethylamino moiety to the cyanophenyl moiety on photo-excitation leading to the appearance of dual fluorescence.