(2-Hydroxyethyl)ammonium octadecyl sulphate
Basic information
- CAS
4696-49-5- Standard SMILES
CCCCCCCCCCCCCCCCCCOS(=O)(=O)O.NCCO- InChIKey
WWEBGUULMZVUBQ-UHFFFAOYSA-N- Molecular formula
- C20H45NO5S
- Average molar mass
- 411.6 g/mol
- Monoisotopic mass
- 411.30184471
Names & identifiers
- Preferred name
- (2-Hydroxyethyl)ammonium octadecyl sulphate
- IUPAC
- 2-aminoethanol;octadecyl hydrogen sulfate
Names & synonyms
(2-Hydroxyethyl)ammonium octadecyl sulphate4696-49-5EINECS 225-164-2SCHEMBL8343031DTXSID60963708WWEBGUULMZVUBQ-UHFFFAOYSA-NOctadecyl hydrogen sulfate--2-aminoethan-1-ol (1/1)
Database identifiers
- CAS
4696-49-5- PubChem CID
- 44150892
- DTXSID
DTXSID60963708- EC Number
- 225-164-2
Properties
Computed structural properties
- Topological polar surface area
- 118 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 19
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 332
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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