Basic information
- Standard SMILES
Cl.O=C1CN2CCC1CC2- InChIKey
RFDPHKHXPMDJJD-UHFFFAOYSA-N- Molecular formula
- C7H12ClNO
- Average molar mass
- 161.63 g/mol
- Monoisotopic mass
- 161.06074168
Names & identifiers
- Preferred name
- 1-Azabicyclo(2.2.2)octan-3-one, hydrochloride (1:1)
- IUPAC
- 1-azabicyclo[2.2.2]octan-3-one;hydrochloride
Names & synonyms
1193-65-3Quinuclidin-3-one hydrochloride1-Azabicyclo[2.2.2]octan-3-one, hydrochloride1-Azabicyclo[2.2.2]octan-3-one, hydrochloride (1:1)EINECS 214-776-5NSC 91498DTXSID40615991-Azabicyclo(2.2.2)octan-3-one, hydrochloride1-Azabicyclo(2.2.2)octan-3-one, hydrochloride (1:1)RefChem:74921DTXCID4033500214-776-5
Show more names
3-Quinuclidinone hydrochloride3-Quinuclidone hydrochloride1-Azabicyclo[2.2.2]octan-3-one hydrochlorideC7H12ClNOMFCD001373913-QUINUCLIDINONE HCL1-azabicyclo[2.2.2]octan-3-one;hydrochloride1-Aza-3-oxobicyclo[2.2.2]octane
Database identifiers
- CAS
1193-65-3- PubChem CID
- 102019
- DTXSID
DTXSID4061599- ChEMBL
CHEMBL554124- UNII
- FL8QLN58RA
- EC Number
- 214-776-5
Properties
Computed structural properties
- Topological polar surface area
- 20.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 136
Experimental & physicochemical properties
Chemical ClassesNitrogen Compounds -> Other Nitrogen Compounds
Physical DescriptionOff-white powder; [Acros Organics MSDS]
Safety & regulation
GHS classification
GHS Classification
This chemical does not meet GHS hazard criteria for 2.8% (1 of 36) of reports.
H411 (88.9%): Toxic to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]
P273, P391, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 36 reports by companies from 4 notifications to the ECHA C&L Inventory.
Hazard information
Regulatory InformationStatus: Active Update: 29-05-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/20773
Hazards SummaryMay cause irritation; [Acros Organics MSDS]
Hazard Classes and CategoriesAquatic Chronic 2 (88.9%)
Chemistry & industry
Uses & manufacturing
General Manufacturing Information1-Azabicyclo[2.2.2]octan-3-one, hydrochloride (1:1): ACTIVE
Related reactions
82 records
Linked notes
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