1-Hexanol, 6-((2-hydroxyethyl)amino)-, dibutanesulfonate (ester), hydrochloride
Basic information
- CAS
61556-94-3- Standard SMILES
CCCCS(=O)(=O)OCCCCCC[NH2+]CCOS(=O)(=O)CCCC.[Cl-]- InChIKey
QWSDWSDVNCUJCB-UHFFFAOYSA-N- Molecular formula
- C16H36ClNO6S2
- Average molar mass
- 438 g/mol
- Monoisotopic mass
- 437.1672579
Names & identifiers
- Preferred name
- 1-Hexanol, 6-((2-hydroxyethyl)amino)-, dibutanesulfonate (ester), hydrochloride
- IUPAC
- 2-butylsulfonyloxyethyl(6-butylsulfonyloxyhexyl)azanium chloride
Names & synonyms
6-((2-Hydroxyethyl)amino)-1-hexanol dibutanesulfonate hydrochloride61556-94-31-HEXANOL, 6-((2-HYDROXYETHYL)AMINO)-, DIBUTANESULFONATE (ester), HYDROCHLORIDERefChem:230721
Database identifiers
- CAS
61556-94-3- PubChem CID
- 43694
Properties
Computed structural properties
- Topological polar surface area
- 120 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 18
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 494
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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