1-Dodecylpyridin-1-ium sulfate
Basic information
- CAS
20779-74-2- Standard SMILES
CCCCCCCCCCCC[n+]1ccccc1.O=S(=O)([O-])[O-]- InChIKey
IQDVXXOBJULTFE-UHFFFAOYSA-L- Molecular formula
- C17H30NO4S-
- Average molar mass
- 344.5 g/mol
- Monoisotopic mass
- 344.18955461
Names & identifiers
- Preferred name
- 1-Dodecylpyridin-1-ium sulfate
- IUPAC
- 1-dodecylpyridin-1-ium sulfate
Names & synonyms
IQDVXXOBJULTFE-UHFFFAOYSA-LNS00084957
Database identifiers
- CAS
20779-74-2- PubChem CID
- 167644
Properties
Computed structural properties
- Topological polar surface area
- 92.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 11
- Heavy atoms
- 23
- Formal charge
- -1
- Complexity
- 223
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Related reactions
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Compound notes
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