1-(2-(Trimethylamino)ethyl) 2-sulfohexadecanoate
Basic information
- CAS
59997-85-2- Standard SMILES
CCCCCCCCCCCCCCC(C(=O)OCC[N+](C)(C)C)S(=O)(=O)[O-]- InChIKey
ZKZZADMKOUKBGW-UHFFFAOYSA-N- Molecular formula
- C21H43NO5S
- Average molar mass
- 421.6 g/mol
- Monoisotopic mass
- 421.28619465
Names & identifiers
- Preferred name
- 1-(2-(Trimethylamino)ethyl) 2-sulfohexadecanoate
- IUPAC
- 1-oxo-1-[2-(trimethylazaniumyl)ethoxy]hexadecane-2-sulfonate
Names & synonyms
1-(2-(TRIMETHYLAMINO)ETHYL) 2-SULFOHEXADECANOATE59997-85-2
Database identifiers
- CAS
59997-85-2- PubChem CID
- 43164
Properties
Computed structural properties
- XLogP
- 6.2
- Topological polar surface area
- 91.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 18
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 481
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…