(2R)-1-Azabicyclo[2.2.2]octane-2-carboxylic acid
Basic information
- CAS
757899-36-8- Standard SMILES
O=C(O)[C@H]1CC2CCN1CC2- InChIKey
LIUAALCHBQSCCX-SSDOTTSWSA-N- Molecular formula
- C8H13NO2
- Average molar mass
- 155.19 g/mol
- Monoisotopic mass
- 155.09462866
Names & identifiers
- Preferred name
- (2R)-1-Azabicyclo[2.2.2]octane-2-carboxylic acid
- IUPAC
- (2R)-1-azabicyclo[2.2.2]octane-2-carboxylic acid
- English name
- 1-Azabicyclo[2.2.2]octane-2-carboxylicacid,(R)-(9CI)
- Molecular formula
- C8H13NO2
- Molecular weight
- 155.19
Names & synonyms
757899-36-8(2R)-1-Azabicyclo[2.2.2]octane-2-carboxylic acid1-Azabicyclo[2.2.2]octane-2-carboxylicacid, (2R)-(R)-quinuclidine-2-carboxylic acidMFCD227415871-Azabicyclo[2.2.2]octane-2-carboxylic acid, (2R)-DTXSID90480918G82373(2R)-1-Azabicyclo[2.2.2]octane-2-carboxylicacid(2R)-1-AZabicyclo[2,2,2]octane-2-carboxylic acidLIUAALCHBQSCCX-SSDOTTSWSA-N(R)-1-Azabicyclo[2.2.2]octane-2-carboxylic acid
Show more names
1-Azabicyclo[2.2.2]octane-2-carboxylicacid,(R)-(9CI)
Database identifiers
- CAS
757899-36-8- PubChem CID
- 12216969
- DTXSID
DTXSID90480918- Nikkaji
- J2.293.417A
Properties
Computed structural properties
- XLogP
- -1.5
- Topological polar surface area
- 40.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 173
Physicochemical properties
- Melting point
- 269 · 269-274℃
- Boiling point
- 284.5 · 284.5±23.0 °C(Predicted)
- Density
- 1.23 · 1.23
- storage temp.
- Store at Room Tem.
- pka
- 2.45 · 2.45±0.20(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 264 · P264-P280-P302+P352-P321-P332+P313-P362-P305+P351+P338-P337+P313-P261-P271-P304+P340-P312-P403+P233-P405-P501
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P264-P280-P302+P352-P321-P332+P313-P362-P305+P351+P338-P337+P313-P261-P271-P304+P340-P312-P403+P233-P405-P501
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Compound notes
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