3-(Decyl-methyl-octylazaniumyl)-2-hydroxypropane-1-sulfonate
Basic information
- CAS
128917-83-9- Standard SMILES
CCCCCCCCCC[N+](C)(CCCCCCCC)CC(O)CS(=O)(=O)[O-]- InChIKey
BEMNDJYDCXUPAK-UHFFFAOYSA-N- Molecular formula
- C22H47NO4S
- Average molar mass
- 421.7 g/mol
- Monoisotopic mass
- 421.32258015
Names & identifiers
- Preferred name
- 3-(Decyl-methyl-octylazaniumyl)-2-hydroxypropane-1-sulfonate
- IUPAC
- 3-(decyl-methyl-octylazaniumyl)-2-hydroxypropane-1-sulfonate
Names & synonyms
128917-83-9ZT11-Decanaminium, N-(2-hydroxy-3-sulfopropyl)-N-methyl-N-octyl-, inner salt
Database identifiers
- CAS
128917-83-9- PubChem CID
- 3045257
Properties
Computed structural properties
- XLogP
- 6.4
- Topological polar surface area
- 85.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 19
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 437
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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