Basic information
- CAS
56501-36-1- Standard SMILES
CCCCCCCCCCCC[N+]1([O-])CCCCCC1- InChIKey
HYDFMWOGHZZOKE-UHFFFAOYSA-N- Molecular formula
- C18H37NO
- Average molar mass
- 283.5 g/mol
- Monoisotopic mass
- 283.2875148
Names & identifiers
- Preferred name
- 1-Dodecylperhydroazepine-1-oxide
- IUPAC
- 1-dodecyl-1-oxidoazepan-1-ium
Names & synonyms
1-Dodecylhexamethylenimine-N-oxide1H-AZEPINE, HEXAHYDRO-1-DODECYL-, 1-OXIDE56501-36-1E9FWJ87VG71-Dodecylhexahydro-1H-azepine-1-oxideBRN 0166047Hexahydro-1-dodecyl-1H-azepine-1-oxide1-Dodecylperhydroazepine-1-oxideUNII-E9FWJ87VG7NSC-291901DTXSID902050474-20-00-01409 (Beilstein Handbook Reference)
Show more names
NSC 291901N-DODECYLPERHYDROAZEPINE-N-OXIDE1H-Azepine, 1-dodecylhexahydro-, 1-oxideRefChem:197027DTXCID90127538NSC291901SCHEMBL501521-Dodecyl-1-oxo-1lambda~5~-azepane
Database identifiers
- CAS
56501-36-1- PubChem CID
- 41908
- DTXSID
DTXSID90205047- UNII
- E9FWJ87VG7
Properties
Computed structural properties
- XLogP
- 6.5
- Topological polar surface area
- 18.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 11
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 209
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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