Ethylhexadecyldimethylammonium 4-chloro-2-cyclohexylphenolate
Basic information
- CAS
94087-88-4- Standard SMILES
CCCCCCCCCCCCCCCC[N+](C)(C)CC.[O-]c1ccc(Cl)cc1C1CCCCC1- InChIKey
YWQPWMACFVDNRR-UHFFFAOYSA-M- Molecular formula
- C32H58ClNO
- Average molar mass
- 508.3 g/mol
- Monoisotopic mass
- 507.4206932
Names & identifiers
- Preferred name
- Ethylhexadecyldimethylammonium 4-chloro-2-cyclohexylphenolate
- IUPAC
- 4-chloro-2-cyclohexylphenolate;ethyl-hexadecyl-dimethylazanium
- English name
- ethylhexadecyldimethylammonium 4-chloro-2-cyclohexylphenolate
- Molecular formula
- C32H58ClNO
- Molecular weight
- 508.26202
Names & synonyms
Ethylhexadecyldimethylammonium 4-chloro-2-cyclohexylphenolate94087-88-4EINECS 301-983-1DTXSID90240453YWQPWMACFVDNRR-UHFFFAOYSA-MNS00092401N-Ethyl-N,N-dimethylhexadecan-1-aminium 4-chloro-2-cyclohexylphenolate
Database identifiers
- CAS
94087-88-4- PubChem CID
- 44149484
- DTXSID
DTXSID90240453- EC Number
- 301-983-1
Properties
Computed structural properties
- Topological polar surface area
- 23.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 17
- Heavy atoms
- 35
- Formal charge
- 0
- Complexity
- 375
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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