2-Naphthalen-2-YL-azepane
Basic information
- CAS
383131-04-2- Standard SMILES
c1ccc2cc(C3CCCCCN3)ccc2c1- InChIKey
LPKABEPCBJDWOR-UHFFFAOYSA-N- Molecular formula
- C16H19N
- Average molar mass
- 225.33 g/mol
- Monoisotopic mass
- 225.15174961
Names & identifiers
- Preferred name
- 2-Naphthalen-2-YL-azepane
- IUPAC
- 2-naphthalen-2-ylazepane
- English name
- 2-Naphthalen-2-yl-azepane
- Molecular formula
- C16H19N
- Molecular weight
- 225.33
Names & synonyms
383131-04-22-NAPHTHALEN-2-YL-AZEPANE2-(naphthalen-2-yl)azepane2-naphthalen-2-ylazepane2-(2-naphthyl)azepaneDTXSID80390991AKOS0051440121H-Azepine, hexahydro-2-(2-naphthalenyl)-
Database identifiers
- CAS
383131-04-2- PubChem CID
- 3280683
- DTXSID
DTXSID80390991
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 12 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 1
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 238
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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