Basic information
- CAS
74493-16-6- Standard SMILES
CCCCCCCCCCCCCCCC[N+]1([O-])CCCC1- InChIKey
BASCZXQTSVHQGC-UHFFFAOYSA-N- Molecular formula
- C20H41NO
- Average molar mass
- 311.5 g/mol
- Monoisotopic mass
- 311.31881493
Names & identifiers
- Preferred name
- Pyrrolidine, 1-hexadecyl-, 1-oxide
- IUPAC
- 1-hexadecyl-1-oxidopyrrolidin-1-ium
Names & synonyms
74493-16-6Pyrrolidine, 1-hexadecyl-, 1-oxideNSC291878DTXSID80315088NSC-2918781-Hexadecyl-1-oxo-1lambda~5~-pyrrolidine
Database identifiers
- CAS
74493-16-6- PubChem CID
- 324901
- DTXSID
DTXSID80315088
Properties
Computed structural properties
- XLogP
- 7.9
- Topological polar surface area
- 18.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 15
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 236
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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