Basic information
- CAS
15787-33-4- Standard SMILES
CC1CN2CCC1CC2C- InChIKey
COFQMXADDRFIBA-UHFFFAOYSA-N- Molecular formula
- C9H17N
- Average molar mass
- 139.24 g/mol
- Monoisotopic mass
- 139.13609955
Names & identifiers
- Preferred name
- 2,5-Dimethyl-1-azabicyclo[2.2.2]octane
- IUPAC
- 2,5-dimethyl-1-azabicyclo[2.2.2]octane
- English name
- 2,5-Dimethyl-1-azabicyclo[2.2.2]octane
- Molecular formula
- C9H17N
- Molecular weight
- 139.24
Names & synonyms
2,5-dimethyl-1-azabicyclo[2.2.2]octane15787-33-4Quinuclidine, 2,5-dimethyl-1-Azabicyclo[2.2.2]octane, 2,5-dimethyl-2,5-Dimethylquinuclidine #SCHEMBL24000122DTXSID50337833COFQMXADDRFIBA-UHFFFAOYSA-N2,5-Dimethylquinuclidine
Database identifiers
- CAS
15787-33-4- PubChem CID
- 544934
- DTXSID
DTXSID50337833- Nikkaji
- J110.499C
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 3.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 0
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 133
Physicochemical properties
- Boiling point
- 110 °C · 110 °C(Press: 80 Torr)
- Density
- 0.93 · 0.93±0.1 g/cm3(Predicted)
- pka
- 11.09 · 11.09±0.70(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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