1-Oxo-1-tridecyl-1lambda~5~-azepane
Basic information
- CAS
74493-22-4- Standard SMILES
CCCCCCCCCCCCC[N+]1([O-])CCCCCC1- InChIKey
UCOBZZNCKHCBCK-UHFFFAOYSA-N- Molecular formula
- C19H39NO
- Average molar mass
- 297.5 g/mol
- Monoisotopic mass
- 297.30316487
Names & identifiers
- Preferred name
- 1-Oxo-1-tridecyl-1lambda~5~-azepane
- IUPAC
- 1-oxido-1-tridecylazepan-1-ium
Names & synonyms
74493-22-4NSC2919021-Oxo-1-tridecyl-1lambda~5~-azepaneDTXSID00315106NSC-291902
Database identifiers
- CAS
74493-22-4- PubChem CID
- 324919
- DTXSID
DTXSID00315106
Properties
Computed structural properties
- XLogP
- 7
- Topological polar surface area
- 18.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 12
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 222
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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