4-[(2-Hydroxyethyl)(methyl)sulfamoyl]benzoic acid
Basic information
- CAS
1087792-62-8- Standard SMILES
CN(CCO)S(=O)(=O)c1ccc(C(=O)O)cc1- InChIKey
ILBYWGZPGJHUOQ-UHFFFAOYSA-N- Molecular formula
- C10H13NO5S
- Average molar mass
- 259.28 g/mol
- Monoisotopic mass
- 259.05144369
Names & identifiers
- Preferred name
- 4-[(2-Hydroxyethyl)(methyl)sulfamoyl]benzoic acid
- IUPAC
- 4-[2-hydroxyethyl(methyl)sulfamoyl]benzoic acid
Names & synonyms
4-[(2-hydroxyethyl)(methyl)sulfamoyl]benzoic acid1087792-62-84-[2-hydroxyethyl(methyl)sulfamoyl]benzoic acid4-{[(2-hydroxyethyl)(methyl)amino]sulfonyl}benzoic acidAKOS005945664EN300-39486G246274-[(2-hydroxyethyl)(methyl)sulfamoyl]benzoicacidZ3854503984-(N-(2-HYDROXYETHYL)-N-METHYLSULFAMOYL)BENZOIC ACID
Database identifiers
- CAS
1087792-62-8- PubChem CID
- 39870109
- EC Number
- 155-028-7
Properties
Computed structural properties
- XLogP
- -0.1
- Topological polar surface area
- 103 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 353
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
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Related reactions
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Compound notes
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