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1,4-Dioxa-8-azaspiro[4.5]decan
4-PIPERIDONE ETHYLENE KETAL · 8-Aza-1,4-dioxaspiro[4.5]decane · 4-PIPERIDONE ETHYLENE ACETAL · AKOS BBS-00003616 · Pibrentasvir Impurity 18 · 4-Piperidinone ethyl ketal · PIPERIDONE 4-ETHYLENEKETAL · 4-Piperidone ethylene glycol
![Molekülstruktur von 1,4-Dioxa-8-azaspiro[4.5]decan](/img/chemical/67435.png)
Identifikatoren & physikalische Daten
| CAS No. | 177-11-7 |
|---|---|
| Summenformel | C7H13NO2 |
| Durchschnittliche Molmasse | 143,18 g/mol |
| Monoisotopische Masse | 143,09462866 g/mol |
| SMILES | C1CC2(CCN1)OCCO2 |
| InChIKey | KPKNTUUIEVXMOH-UHFFFAOYSA-N |
| PubChem CID | 67435 |
| ChEMBL | CHEMBL3344301 |
| EC No. | 205-868-6 |
| DTXSID | DTXSID80170235 |
| Lokaler Name | 1,4-Dioxa-8-azaspiro[4.5]decan |
Chemische & physikalische Eigenschaften
| XLogP | -0,3 |
|---|---|
| Polarare Oberfläche (TPSA) | 30,5 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 3 |
| Frei drehbare Bindungen | 0 |
| Schwere Atome | 10 |
| Formalladung | 0 |
| Komplexität | 113 |
| Siedepunkt | 108-111 °C26 mm Hg(lit.) |
| Dichte | 1.117 g/mL at 20 °C(lit.) |
| Brechungsindex | n20/D 1.4819(lit.) |
| Flammpunkt | 179 °F |
| Lagerbedingungen | Keep in dark place,Sealed in dry,Room Temperature |
| Löslichkeit | DCM, Ethyl Acetate, MethanolSoluble in water (Partly miscible). |
| Aggregatzustand | Liquid |
| pKa (Säurekonstante) | 10.92±0.20(Predicted) |
| Farbe | Clear colorless to yellow |
| BRN | 506799 |
| InChI | InChI=1S/C7H13NO2/c1-3-8-4-2-7(1)9-5-6-10-7/h8H,1-6H2 |
| InChIKey | KPKNTUUIEVXMOH-UHFFFAOYSA-N |
| SMILES | O1C2(CCNCC2)OCC1 |
| CAS Datenbank | 177-11-7(CAS DataBase Reference) |
| NIST chemische Informationen | 1,4-Dioxa-8-azaspiro(4.5)decane(177-11-7) |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 50 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Hazard Classes and Categories | Skin Irrit. 2 (100%) |
| F | 10-34 |
| Wassergefährdungsklasse (WGK) | 3 |
| Zollcode | 29349990 |
| R-Sätze (R) | 36/37/38 |
| Gefahrensymbole | Xi |
| hazard_note | Irritant |
| Sicherheitshinweise (S) | 26-36-24/25 |
| Lagerklasse | 10 - Combustible liquids |
| Gefahrenklasse | Eye Irrit. 2Skin Irrit. 2STOT SE 3 |
Anwendungen & Verwendung
Verwenden
1,4-Dioxa-8-azaspiro[4.5]decane was used in the synthesis of 1,4-dioxa-8-azaspiro [4,5] deca spirocyclotriphosphazenes.