1-Nonyl-1-oxo-1lambda~5~-azepane
Basic information
- CAS
77161-26-3- Standard SMILES
CCCCCCCCC[N+]1([O-])CCCCCC1- InChIKey
BFDSRQBGHAQTFO-UHFFFAOYSA-N- Molecular formula
- C15H31NO
- Average molar mass
- 241.41 g/mol
- Monoisotopic mass
- 241.24056461
Names & identifiers
- Preferred name
- 1-Nonyl-1-oxo-1lambda~5~-azepane
- IUPAC
- 1-nonyl-1-oxidoazepan-1-ium
Names & synonyms
77161-26-31-Nonyl-1-oxo-1lambda~5~-azepaneNSC291898DTXSID20315103NSC-291898
Database identifiers
- CAS
77161-26-3- PubChem CID
- 324916
- DTXSID
DTXSID20315103
Properties
Computed structural properties
- XLogP
- 4.9
- Topological polar surface area
- 18.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 8
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 174
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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