1-Hexanol, 6-((2-hydroxyethyl)amino)-, diethanesulfonate (ester), hydrochloride
Basic information
- CAS
61556-92-1- Standard SMILES
CCS(=O)(=O)OCCCCCC[NH2+]CCOS(=O)(=O)CC.[Cl-]- InChIKey
PSNUUGIGXJKHNE-UHFFFAOYSA-N- Molecular formula
- C12H28ClNO6S2
- Average molar mass
- 381.9 g/mol
- Monoisotopic mass
- 381.1046577
Names & identifiers
- Preferred name
- 1-Hexanol, 6-((2-hydroxyethyl)amino)-, diethanesulfonate (ester), hydrochloride
- IUPAC
- 2-ethylsulfonyloxyethyl(6-ethylsulfonyloxyhexyl)azanium chloride
Names & synonyms
6-((2-Hydroxyethyl)amino)-1-hexanol diethanesulfonate hydrochloride61556-92-11-HEXANOL, 6-((2-HYDROXYETHYL)AMINO)-, DIETHANESULFONATE (ester), HYDROCHLORIDERefChem:230722
Database identifiers
- CAS
61556-92-1- PubChem CID
- 43690
Properties
Computed structural properties
- Topological polar surface area
- 120 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 14
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 435
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…