Basic information
- CAS
94086-42-7- Standard SMILES
CC(C)CCCCCc1ccccc1[O-].CCCCCCCCCCCCCCCC[N+](C)(C)CC- InChIKey
LCZWLBDVOPREFI-UHFFFAOYSA-M- Molecular formula
- C34H65NO
- Average molar mass
- 503.9 g/mol
- Monoisotopic mass
- 503.5066157
Names & identifiers
- Preferred name
- Ethylhexadecyldimethylammonium isooctylphenolate
- IUPAC
- ethyl-hexadecyl-dimethylazanium;2-(6-methylheptyl)phenolate
- English name
- ethylhexadecyldimethylammonium isooctylphenolate
- Molecular formula
- C34H65NO
- Molecular weight
- 503.886
Names & synonyms
Ethylhexadecyldimethylammonium isooctylphenolate94086-42-7EINECS 301-829-3DTXSID40240382RefChem:139161DTXCID40162873301-829-3LCZWLBDVOPREFI-UHFFFAOYSA-MN-Ethyl-N,N-dimethylhexadecan-1-aminium 2-(6-methylheptyl)phenolate
Database identifiers
- CAS
94086-42-7- PubChem CID
- 44153121
- DTXSID
DTXSID40240382- EC Number
- 301-829-3
Properties
Computed structural properties
- Topological polar surface area
- 23.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 22
- Heavy atoms
- 36
- Formal charge
- 0
- Complexity
- 351
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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