Cetylpyridinium acetate
Basic information
- CAS
7439-73-8- Standard SMILES
CC(=O)[O-].CCCCCCCCCCCCCCCC[n+]1ccccc1- InChIKey
CBRUQZUHJAXNHS-UHFFFAOYSA-M- Molecular formula
- C23H41NO2
- Average molar mass
- 363.6 g/mol
- Monoisotopic mass
- 363.31372955
Names & identifiers
- Preferred name
- Cetylpyridinium acetate
- IUPAC
- 1-hexadecylpyridin-1-ium acetate
Names & synonyms
CETYLPYRIDINIUM ACETATE6W29RZ7YU27439-73-8hexadecylpyridinium acetateUNII-6W29RZ7YU2SCHEMBL2575015SCHEMBL3218650Pyridinium, 1-hexadecyl-, acetate1-HEXADECYLPYRIDINIUM ACETATEQ27265612
Database identifiers
- CAS
7439-73-8- PubChem CID
- 23921
- UNII
- 6W29RZ7YU2
Properties
Computed structural properties
- Topological polar surface area
- 44 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 15
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 233
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Related reactions
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Compound notes
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