Octadecyltrimethylammonium stearate
Basic information
- CAS
7542-20-3- Standard SMILES
CCCCCCCCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCCCCCCCC[N+](C)(C)C- InChIKey
DTSCWNFJDVLSFY-UHFFFAOYSA-M- Molecular formula
- C39H81NO2
- Average molar mass
- 596.1 g/mol
- Monoisotopic mass
- 595.62673083
Names & identifiers
- Preferred name
- Octadecyltrimethylammonium stearate
- IUPAC
- octadecanoate;trimethyl(octadecyl)azanium
Names & synonyms
OCTADECYLTRIMETHYLAMMONIUM STEARATEUNII-4XO6THZ0QU4XO6THZ0QU7542-20-3DTXSID70226351RefChem:167716DTXCID70148842SCHEMBL4942597N,N,N-Trimethyloctadecan-1-aminium octadecanoateQ27260641
Database identifiers
- CAS
7542-20-3- PubChem CID
- 24175
- DTXSID
DTXSID70226351- UNII
- 4XO6THZ0QU
Properties
Computed structural properties
- Topological polar surface area
- 40.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 32
- Heavy atoms
- 42
- Formal charge
- 0
- Complexity
- 401
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Compound notes
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