Basic information
- CAS
85940-46-1- Standard SMILES
CCCCCCCCCCCC[N+](C)(C)C(Cl)(Cl)c1ccccc1.[O-]c1ccccc1C1CCCCC1- InChIKey
HZSWJLBJXNROAR-UHFFFAOYSA-M- Molecular formula
- C33H51Cl2NO
- Average molar mass
- 548.7 g/mol
- Monoisotopic mass
- 547.3347706
Names & identifiers
- Preferred name
- (Dichlorobenzyl)dodecyldimethylammonium, salt with o-cyclohexylphenol (1:1)
- IUPAC
- 2-cyclohexylphenolate;[dichloro(phenyl)methyl]-dodecyl-dimethylazanium
Names & synonyms
EINECS 288-932-6(Dichlorobenzyl)dodecyldimethylammonium, salt with o-cyclohexylphenol (1:1)85940-46-1DTXSID70235266RefChem:69965DTXCID70157757288-932-6N-[Dichloro(phenyl)methyl]-N,N-dimethyldodecan-1-aminium 2-cyclohexylphenolate
Database identifiers
- CAS
85940-46-1- PubChem CID
- 44153153
- DTXSID
DTXSID70235266- EC Number
- 288-932-6
Properties
Computed structural properties
- Topological polar surface area
- 23.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 14
- Heavy atoms
- 37
- Formal charge
- 0
- Complexity
- 458
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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