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(6S)-1,4-Diazabicyclo(4.3.0)nonane
o[4.3.0]nonane · (S)-1,4-DiazabicycL · (S)-1,4-Diazabicyclo[4.3.0]nonane · (6S)-1,4-Diazabicyclo[4.3.0]nonane · (S)-Octahydro-pyrrolo[1,2-a]pyrazine · (8AS)-OCTAHYDROPYRROLO[1,2-A]PYRAZINE · (S)-1,4-Diazabicyclo[4.3.0]nonane, 98+% · (8aS)-octahydropyrrolo[1,2-a]piperazine
Identifikatoren & physikalische Daten
| CAS No. | 93643-24-4 |
|---|---|
| Summenformel | C7H14N2 |
| Durchschnittliche Molmasse | 126,2 g/mol |
| Monoisotopische Masse | 126,11569845 g/mol |
| SMILES | C1C[C@H]2CNCCN2C1 |
| InChIKey | FTTATHOUSOIFOQ-ZETCQYMHSA-N |
| PubChem CID | 781249 |
| EC No. | 679-266-0 |
| DTXSID | DTXSID30354765 |
Chemische & physikalische Eigenschaften
| XLogP | 0,2 |
|---|---|
| Polarare Oberfläche (TPSA) | 15,3 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 2 |
| Frei drehbare Bindungen | 0 |
| Schwere Atome | 9 |
| Formalladung | 0 |
| Komplexität | 103 |
| Siedepunkt | 61-63 °C(Press: 8 Torr) |
| Dichte | 1.03±0.1 g/cm3(Predicted) |
| Lagerbedingungen | 2-8°C(protect from light) |
| pKa (Säurekonstante) | 9.98±0.20(Predicted) |
| Aggregatzustand | liquid |
| Farbe | Clear, yellow |
| Löslichkeit | Slightly soluble in water. |
Sicherheit & Vorschriften
| GHS-Einstufung | DangerH302 (12.5%): Harmful if swallowed [Warning Acute toxicity, oral]P260, P261, P264, P270, P271, P280, P301+P317, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P319, P321, P330, P363, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 8 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Hazard Classes and Categories | Acute Tox. 4 (12.5%) |
| UN-Transportnummer | UN3267 |
| Zollcode | 2933998090 |
| Gefahrensymbole | Xi |
| Gefahrenklasse | 8 |
Anwendungen & Verwendung
Verwenden
(S)-1,4-Diazabicyclo[4.3.0]nonane is used as stationary phases for the separation of enantiomeric mixtures of products. It is also used as catalysts for the enantioselective synthesis of various organic compounds and drugs.