2-Oxa-6-azaspiro[3.5]nonane
Grundinformationen
- CAS
1046153-20-1- Standard-SMILES
C1CNCC2(C1)COC2- InChIKey
SDESQEIYRGXXPA-UHFFFAOYSA-N- Summenformel
- C7H13NO
- Durchschnittliche Molmasse
- 127,18 g/mol
- Monoisotopische Masse
- 127,09971404
Namen und Bezeichner
- Bevorzugter Name
- 2-Oxa-6-azaspiro[3.5]nonane
- IUPAC
- 2-oxa-8-azaspiro[3.5]nonane
- Englischer Name
- 2-Oxa-6-azaspiro[3.5]nonane
- Summenformel
- C7H13NO
- Molmasse
- 127.18
Namen und Synonyme
Weitere Namen anzeigen
Datenbank-Bezeichner
- CAS
1046153-20-1- PubChem CID
- 51341945
- DTXSID
DTXSID40679855- EC Number
- 664-437-4
- Nikkaji
- J2.972.593D
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 0
- Polarare Oberfläche (TPSA)
- 21,3 Ų
- H-Brücken-Donoren
- 1
- H-Brücken-Akzeptoren
- 2
- Frei drehbare Bindungen
- 0
- Schwere Atome
- 9
- Formalladung
- 0
- Komplexität
- 109
Physikochemische Eigenschaften
- Schmelzpunkt
- 131 · 131-136°C
- Siedepunkt
- 208 ℃ · 208℃
- Dichte
- 1.04 · 1.04
- Flammpunkt
- 74 ℃ · 74℃
- storage temp.
- 2 · 2-8°C(protect from light)
- pka
- 10.73 · 10.73±0.20(Predicted)
- Aggregatzustand
- liquid
- Farbe
- Colourless
- InChI
- 1S/C7H13NO.C2H2O4/c1-2-7(4-8-3-1)5-9-6-7;3-1(4)2(5)6/h8H,1-6H2;(H,3,4)(H,5,6)
- InChIKey
- SDESQEIYRGXXPA-UHFFFAOYSA-N
- SMILES
- OC(=O)C(O)=O.C1CNCC2(C1)COC2
Sicherheit und Regulatorisches
GHS-Klassifizierung
GHS Classification
This chemical does not meet GHS hazard criteria for 97.4% (38 of 39) of all reports.
Not Classified;Reported as not meeting GHS hazard criteria by 38 of 39 companies (only 2.6% companies provided GHS information). For more detailed information, please visit ECHA C&L website.
Aggregated GHS information provided per 39 reports by companies from 2 notifications to the ECHA C&L Inventory.;Reported as not meeting GHS hazard criteria per 38 of 39 reports by companies.;There is 1 notification provided by 1 of 39 reports by companies with hazard statement code(s).;Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.
Gefahrenhinweise
Sicherheitsdaten
- wgk
- 3
- hs_code
- 2933998090
- Speicherklasse
- 11 - Combustible Solids
Chemie und Industrie
Anwendungen
Verwenden2-Oxa-6-azaspiro[3.5]nonane is a spirocyclic compound containing oxygen and nitrogen atoms. As an important building block for drug synthesis and a pharmaceutical intermediate, it is mainly used for the construction of molecular skeletons in new drug development and is widely used in the fields of pharmaceutical and chemical research.
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