(2,3,5,6-Tetramethyl-benzenesulfonylamino)-acetic acid
Basic information
- CAS
379250-94-9- Standard SMILES
Cc1cc(C)c(C)c(S(=O)(=O)NCC(=O)O)c1C- InChIKey
FAIKALCUIWGIHB-UHFFFAOYSA-N- Molecular formula
- C12H17NO4S
- Average molar mass
- 271.33 g/mol
- Monoisotopic mass
- 271.0878292
Names & identifiers
- Preferred name
- (2,3,5,6-Tetramethyl-benzenesulfonylamino)-acetic acid
- IUPAC
- 2-[(2,3,5,6-tetramethylphenyl)sulfonylamino]acetic acid
- English name
- (2,3,5,6-Tetramethyl-benzenesulfonylamino)-acetic acid
- Molecular formula
- C12H17NO4S
- Molecular weight
- 271.33
Names & synonyms
379250-94-9(2,3,5,6-Tetramethyl-benzenesulfonylamino)-acetic acidDTXSID40352616RefChem:205416DTXCID20303681((2,3,5,6-tetramethylphenyl)sulfonyl)glycine2-[(2,3,5,6-tetramethylphenyl)sulfonylamino]acetic acidMFCD023338062-(2,3,5,6-tetramethylphenylsulfonamido)acetic acidF1143-4513(2,3,5,6-TETRAMETHYL-BENZENESULFONYLAMINO)-ACETICACIDGlycine,N-[(2,3,5,6-tetramethylphenyl)sulfonyl]-
Show more names
GLYCINE, N-[(2,3,5,6-TETRAMETHYLPHENYL)SULFONYL]-N-(2,3,5,6-TetraMethylphenylsulfonyl)glycine, 96%2-[(2,3,5,6-tetramethylphenyl)sulfonylamino]aceticaci2-([(2,3,5,6-TETRAMETHYLPHENYL)SULFONYL]AMINO)ACETIC ACID(2,3,5,6-TETRAMETHYL-BENZENESULFONYLAMINO)-ACETIC ACID USP/EP/BP
2-(2,3,5,6-tetramethylbenzenesulfonamido)acetic acidSMR000150189Oprea1_694560MLS000570206CHEMBL1461810HMS2329N22SMSSF-0143369STK982094
Database identifiers
- CAS
379250-94-9- PubChem CID
- 730270
- DTXSID
DTXSID40352616- ChEMBL
CHEMBL1461810- EC Number
- 670-418-1
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 91.9 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 387
Physicochemical properties
- Melting point
- 166 · 166-167℃
- Boiling point
- 486.8 · 486.8±55.0 °C(Predicted)
- Density
- 1.254 · 1.254±0.06 g/cm3(Predicted)
- pka
- 3.33 · 3.33±0.10(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 261 · P261-P280a-P304+P340-P305+P351+P338-P405-P501a
- Hazard Codes
- Xn
- Risk Statements
- 22 · 22-36
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)
Aggregated GHS information provided per 4 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Safety data
- risk_code
- 22-36
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xn
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P261-P280a-P304+P340-P305+P351+P338-P405-P501a
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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