Spiro[1-azabicyclo[2.2.2]octane-3,5'-oxazolidin]-2'-one

1’-Azaspiro[oxazolidine-5,3’-bicyclo[2.2.2]octan]-2-one · 4-azaspiro[bicyclo[2.2.2]octane-2,5'-oxazolidin]-2'-one · Spiro[1-azabicyclo[2.2.2]octane-3,5'-oxazolidin]-2'-one · Spiro[1-azabicyclo[2.2.2]octane-3,5-oxazolidin]-2-one (9CI) · 4-Azaspiro[bicyclo[2.2.2]octane-2,2'-[1,4]oxazolidine]-5'-one

https://huagongshe.com/de/chemical/9852730

Molekülstruktur von Spiro[1-azabicyclo[2.2.2]octane-3,5'-oxazolidin]-2'-one

Identifikatoren & physikalische Daten

CAS No.	178419-45-9
Summenformel	C9H14N2O2
Durchschnittliche Molmasse	182,22 g/mol
Monoisotopische Masse	182,10552769 g/mol
SMILES	O=C1NCC2(CN3CCC2CC3)O1
InChIKey	TYAGAVRSOFABFO-UHFFFAOYSA-N
PubChem CID	9852730
ChEMBL	CHEMBL293975
EC No.	983-243-3
DTXSID	DTXSID00431774

Chemische & physikalische Eigenschaften

XLogP	0,2
Polarare Oberfläche (TPSA)	41,6
H-Brücken-Donoren	1
H-Brücken-Akzeptoren	3
Frei drehbare Bindungen	0
Schwere Atome	13
Formalladung	0
Komplexität	248
Siedepunkt	411.7±34.0 °C(Predicted)
Dichte	1.30±0.1 g/cm3(Predicted)
pKa (Säurekonstante)	12.41±0.20(Predicted)

Sicherheit & Vorschriften

GHS-Einstufung	WarningH315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposureRespiratory tract 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)The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard Classes and Categories	Skin Irrit. 2 (100%)Eye Irrit. 2A (100%)STOT SE 3 (100%)
Alarmwort	Warnung
Gefahrenhinweise	Code Gefahrenhinweise Gefahrenklasse Abteilung Alarmwort Symbol P-Code H302

HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke

HCID 9852730Erstellt: 27. Oktober 2026

Spiro[1-azabicyclo[2.2.2]octane-3,5'-oxazolidin]-2'-one

https://huagongshe.com/de/chemical/9852730

Identifikatoren & physikalische Daten

CAS No.	178419-45-9
Summenformel	C9H14N2O2
Durchschnittliche Molmasse	182,22 g/mol
Monoisotopische Masse	182,10552769 g/mol
SMILES	O=C1NCC2(CN3CCC2CC3)O1
InChIKey	TYAGAVRSOFABFO-UHFFFAOYSA-N
PubChem CID	9852730
ChEMBL	CHEMBL293975
EC No.	983-243-3
DTXSID	DTXSID00431774

Chemische & physikalische Eigenschaften

XLogP	0,2
Polarare Oberfläche (TPSA)	41,6
H-Brücken-Donoren	1
H-Brücken-Akzeptoren	3
Frei drehbare Bindungen	0
Schwere Atome	13
Formalladung	0
Komplexität	248
Siedepunkt	411.7±34.0 °C(Predicted)
Dichte	1.30±0.1 g/cm3(Predicted)
pKa (Säurekonstante)	12.41±0.20(Predicted)

Sicherheit & Vorschriften

GHS-Einstufung	WarningH315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposureRespiratory tract 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)The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard Classes and Categories	Skin Irrit. 2 (100%)Eye Irrit. 2A (100%)STOT SE 3 (100%)
Alarmwort	Warnung
Gefahrenhinweise	Code Gefahrenhinweise Gefahrenklasse Abteilung Alarmwort Symbol P-Code H302