Basic information
- CAS
61556-97-6- Standard SMILES
CCCS(=O)(=O)OCCCCCC[NH2+]CCCOS(=O)(=O)CCC.[Cl-]- InChIKey
WIBMFSAUKWKSOU-UHFFFAOYSA-N- Molecular formula
- C15H34ClNO6S2
- Average molar mass
- 424 g/mol
- Monoisotopic mass
- 423.1516078
Names & identifiers
- Preferred name
- 1-Hexanol, 6-((3-hydroxypropyl)amino)-, dipropanesulfonate (ester), hydrochloride
- IUPAC
- 6-propylsulfonyloxyhexyl(3-propylsulfonyloxypropyl)azanium chloride
Names & synonyms
61556-97-66-((3-Hydroxypropyl)amino)-1-hexanol dipropanesulfonate hydrochloride1-Hexanol, 6-((3-hydroxypropyl)amino)-, dipropanesulfonate (ester), hydrochlorideRefChem:230727
Database identifiers
- CAS
61556-97-6- PubChem CID
- 43700
Properties
Computed structural properties
- Topological polar surface area
- 120 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 17
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 479
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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