Basic information
- CAS
92505-71-0- Standard SMILES
O=S(=O)(CCO)c1cccc(N(CCO)CCO)c1- InChIKey
DASSQIXKAUWNAV-UHFFFAOYSA-N- Molecular formula
- C12H19NO5S
- Average molar mass
- 289.35 g/mol
- Monoisotopic mass
- 289.09839388
Names & identifiers
- Preferred name
- 2,2'-{[3-(2-Hydroxyethanesulfonyl)phenyl]azanediyl}di(ethan-1-ol)
- IUPAC
- 2-[N-(2-hydroxyethyl)-3-(2-hydroxyethylsulfonyl)anilino]ethanol
Names & synonyms
92505-71-0DTXSID807579292,2'-{[3-(2-Hydroxyethanesulfonyl)phenyl]azanediyl}di(ethan-1-ol)
Database identifiers
- CAS
92505-71-0- PubChem CID
- 71329068
- DTXSID
DTXSID80757929
Properties
Computed structural properties
- XLogP
- -0.8
- Topological polar surface area
- 106 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 8
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 335
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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