1-(4-Chlorophenyl)-3-azabicyclo[3.1.0]hexane
Basic information
- CAS
67644-29-5- Standard SMILES
Clc1ccc(C23CNCC2C3)cc1- InChIKey
VLWYROJLUFPLPC-UHFFFAOYSA-N- Molecular formula
- C11H12ClN
- Average molar mass
- 193.67 g/mol
- Monoisotopic mass
- 193.0658271
Names & identifiers
- Preferred name
- 1-(4-Chlorophenyl)-3-azabicyclo[3.1.0]hexane
- IUPAC
- 1-(4-chlorophenyl)-3-azabicyclo[3.1.0]hexane
Names & synonyms
1-(4-chlorophenyl)-3-azabicyclo[3.1.0]hexane67644-29-5SCHEMBL3561707CHEMBL1189600DTXSID60435990VLWYROJLUFPLPC-UHFFFAOYSA-NAKOS023812217MB690611-p-chlorophenyl-3-azabicyclo[3.1.0]hexane1-(p-chlorophenyl)-3-azabicyclo[3.1.0]hexane(+)-1-(p-chlorophenyl)-3-azabicyclo[3.1.0]hexane(-)-1-(p-chlorophenyl)-3-azabicyclo[3.1.0]hexane
Database identifiers
- CAS
67644-29-5- PubChem CID
- 10130331
- DTXSID
DTXSID60435990- ChEMBL
CHEMBL1189600
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 12 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 1
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 210
Related reactions
39 records
Compound notes
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