Basic information
- CAS
41349-78-4- Standard SMILES
CCC(=O)[O-].CCCCCCCCCCCCCCCC[N+](C)(C)C- InChIKey
UTSNXNKAUUNUEQ-UHFFFAOYSA-M- Molecular formula
- C22H47NO2
- Average molar mass
- 357.6 g/mol
- Monoisotopic mass
- 357.36067974
Names & identifiers
- Preferred name
- N,N,N-Trimethylhexadecan-1-aminium propanoate
- IUPAC
- hexadecyl(trimethyl)azanium;propanoate
Names & synonyms
41349-78-4N,N,N-Trimethylhexadecan-1-aminium propanoateDTXSID00785623RefChem:358709DTXCID90736366SCHEMBL31516838hexadecyltrimethylammonium propionate
Database identifiers
- CAS
41349-78-4- PubChem CID
- 71361978
- DTXSID
DTXSID00785623
Properties
Computed structural properties
- Topological polar surface area
- 40.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 15
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 215
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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