Ethylhexadecyldimethylammonium 2,3,5,6-tetrachlorophenolate
Basic information
- CAS
85940-51-8- Standard SMILES
CCCCCCCCCCCCCCCC[N+](C)(C)CC.[O-]c1c(Cl)c(Cl)cc(Cl)c1Cl- InChIKey
YUYCXNUQBGFXTC-UHFFFAOYSA-M- Molecular formula
- C26H45Cl4NO
- Average molar mass
- 529.4 g/mol
- Monoisotopic mass
- 527.225526
Names & identifiers
- Preferred name
- Ethylhexadecyldimethylammonium 2,3,5,6-tetrachlorophenolate
- IUPAC
- ethyl-hexadecyl-dimethylazanium;2,3,5,6-tetrachlorophenolate
- English name
- ethylhexadecyldimethylammonium 2,3,5,6-tetrachlorophenolate
- Molecular formula
- C26H45Cl4NO
- Molecular weight
- 529.4536
Names & synonyms
85940-51-8EINECS 288-937-3Ethylhexadecyldimethylammonium 2,3,5,6-tetrachlorophenolateDTXSID50235269YUYCXNUQBGFXTC-UHFFFAOYSA-MNS00092337N-Ethyl-N,N-dimethylhexadecan-1-aminium 2,3,5,6-tetrachlorophenolate
Database identifiers
- CAS
85940-51-8- PubChem CID
- 44153270
- DTXSID
DTXSID50235269- EC Number
- 288-937-3
Properties
Computed structural properties
- Topological polar surface area
- 23.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 16
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 327
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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