Hexadecyl(2-hydroxy-3-sulphonatopropyl)dimethylammonium
Basic information
- CAS
7425-12-9- Standard SMILES
CCCCCCCCCCCCCCCC[N+](C)(C)CC(O)CS(=O)(=O)[O-]- InChIKey
OSPOJLWAJPWJTO-UHFFFAOYSA-N- Molecular formula
- C21H45NO4S
- Average molar mass
- 407.7 g/mol
- Monoisotopic mass
- 407.30693009
Names & identifiers
- Preferred name
- Hexadecyl(2-hydroxy-3-sulphonatopropyl)dimethylammonium
- IUPAC
- 3-[hexadecyl(dimethyl)azaniumyl]-2-hydroxypropane-1-sulfonate
- English name
- N-(2-Hydroxy-3-sulfonatopropyl)-N,N-dimethyl-1-hexadecanaminium
- Molecular formula
- C21H45NO4S
- Molecular weight
- 407.65
Names & synonyms
7425-12-9Hexadecyl(2-hydroxy-3-sulphonatopropyl)dimethylammoniumSCHEMBL81692OSPOJLWAJPWJTO-UHFFFAOYSA-NDTXSID001373167EINECS 231-056-6NS000472323-(n,n-dimethyl-n-hexadecylammonio)-2-hydroxypropane-1-sulfonateN-(2-Hydroxy-3-sulfonatopropyl)-N,N-dimethyl-1-hexadecanaminium
Database identifiers
- CAS
7425-12-9- PubChem CID
- 110994
- DTXSID
DTXSID001373167- EC Number
- 231-056-6
- Nikkaji
- J278.828D
Properties
Computed structural properties
- XLogP
- 6.2
- Topological polar surface area
- 85.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 18
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 419
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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