Basic information
- CAS
48199-12-8- Standard SMILES
CCCCCCCCCCCCCCCC[n+]1ccccc1C- InChIKey
OPVAFCQZNIZLRH-UHFFFAOYSA-N- Molecular formula
- C22H40N+
- Average molar mass
- 318.6 g/mol
- Monoisotopic mass
- 318.31607528
Names & identifiers
- Preferred name
- 1-Hexadecyl-2-methylpyridinium
- IUPAC
- 1-hexadecyl-2-methylpyridin-1-ium
Names & synonyms
1-Hexadecyl-2-methylpyridiniumSCHEMBL627235SCHEMBL29561275DTXSID30135764748199-12-8
Database identifiers
- CAS
48199-12-8- PubChem CID
- 84409
- DTXSID
DTXSID301357647- Nikkaji
- J415.419C
Properties
Computed structural properties
- XLogP
- 9.1
- Topological polar surface area
- 3.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 15
- Heavy atoms
- 23
- Formal charge
- 1
- Complexity
- 238
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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