2-[[2-[(2-Hydroxyethyl)amino]-5-nitrophenyl]sulfonyl]ethanol
Basic information
- CAS
100983-90-2- Standard SMILES
O=[N+]([O-])c1ccc(NCCO)c(S(=O)(=O)CCO)c1- InChIKey
DVJPJRKJNNHZEE-UHFFFAOYSA-N- Molecular formula
- C10H14N2O6S
- Average molar mass
- 290.3 g/mol
- Monoisotopic mass
- 290.05725734
Names & identifiers
- Preferred name
- 2-[[2-[(2-Hydroxyethyl)amino]-5-nitrophenyl]sulfonyl]ethanol
- IUPAC
- 2-[2-(2-hydroxyethylsulfonyl)-4-nitroanilino]ethanol
- English name
- [2-(2-Hydroxyethylamino)-5-nitrophenyl]-(2-hydroxyethyl)-sulfon
- Molecular formula
- C10H14N2O6S
- Molecular weight
- 290.29
Names & synonyms
SCHEMBL9877922SCHEMBL29597632DTXSID1011862482-[[2-[(2-Hydroxyethyl)amino]-5-nitrophenyl]sulfonyl]ethanol100983-90-22-[2-(2-Hydroxyethanesulfonyl)-4-nitroanilino]ethan-1-olEthanol, 2-[[2-[(2-hydroxyethyl)amino]-5-nitrophenyl]sulfonyl]-[2-(2-Hydroxyethylamino)-5-nitrophenyl]-(2-hydroxyethyl)-sulfon
Database identifiers
- CAS
100983-90-2- PubChem CID
- 13628644
- DTXSID
DTXSID101186248- EC Number
- 600-145-5
Properties
Computed structural properties
- XLogP
- 0.2
- Topological polar surface area
- 141 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 6
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 388
Physicochemical properties
- Boiling point
- 617.9 · 617.9±55.0 °C(Predicted)
- Density
- 1.523 · 1.523±0.06 g/cm3(Predicted)
- pka
- 13.41 · 13.41±0.10(Predicted)
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Related reactions
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Compound notes
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