Basic information
- CAS
41338-60-7- Standard SMILES
Clc1ccccc1CC12CCCCC1N2- InChIKey
PTEFJVPUITYJNB-UHFFFAOYSA-N- Molecular formula
- C13H16ClN
- Average molar mass
- 221.72 g/mol
- Monoisotopic mass
- 221.0971272
Names & identifiers
- Preferred name
- 1-(2-Chlorobenzyl)-7-azabicyclo[4.1.0]heptane
- IUPAC
- 1-[(2-chlorophenyl)methyl]-7-azabicyclo[4.1.0]heptane
Names & synonyms
41338-60-71-(2-chlorobenzyl)-7-azabicyclo[4.1.0]heptaneNSC1598567-Azabicyclo[4.1.0]heptane,1-[(2-chlorophenyl)methyl]-DTXSID60303665NSC-159856DS-0059741-[(2-Chlorophenyl)methyl]-7-azabicyclo[4.1.0]heptane
Database identifiers
- CAS
41338-60-7- PubChem CID
- 293333
- DTXSID
DTXSID60303665
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 21.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 2
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 243
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…