Basic information
- CAS
69047-26-3- Standard SMILES
Clc1ccc(N=C2CN3CCC2CC3)cc1- InChIKey
NDBLQEZXIJUPLM-UHFFFAOYSA-N- Molecular formula
- C13H15ClN2
- Average molar mass
- 234.72 g/mol
- Monoisotopic mass
- 234.0923762
Names & identifiers
- Preferred name
- (3Z)-N-(4-Chlorophenyl)-1-azabicyclo[2.2.2]octan-3-imine
- IUPAC
- N-(4-chlorophenyl)-1-azabicyclo[2.2.2]octan-3-imine
Names & synonyms
69047-26-3DTXSID90530220(3Z)-N-(4-Chlorophenyl)-1-azabicyclo[2.2.2]octan-3-imine3-(p-chlorophenyl)iminoquinuclidine
Database identifiers
- CAS
69047-26-3- PubChem CID
- 13228010
- DTXSID
DTXSID90530220
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 15.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 274
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…