4-(2,3,5,6-Tetramethylbenzenesulfonamido)butanoic acid
Basic information
- CAS
733044-79-6- Standard SMILES
Cc1cc(C)c(C)c(S(=O)(=O)NCCCC(=O)O)c1C- InChIKey
VUMSWKCPJSILTE-UHFFFAOYSA-N- Molecular formula
- C14H21NO4S
- Average molar mass
- 299.39 g/mol
- Monoisotopic mass
- 299.11912932
Names & identifiers
- Preferred name
- 4-(2,3,5,6-Tetramethylbenzenesulfonamido)butanoic acid
- IUPAC
- 4-[(2,3,5,6-tetramethylphenyl)sulfonylamino]butanoic acid
Names & synonyms
4-(2,3,5,6-tetramethylbenzenesulfonamido)butanoic acid733044-79-6RefChem:510666103-720-44-(2,3,5,6-Tetramethyl-benzenesulfonylamino)-butyric acid4-[(2,3,5,6-tetramethylphenyl)sulfonylamino]butanoic Acid4-{[(2,3,5,6-tetramethylphenyl)sulfonyl]amino}butanoic acidSTK982092AKOS000116516EN300-05671G35996AS-871/15337061
Show more names
SR-01000299705SR-01000299705-14-(2,3,5,6-tetramethylbenzenesulfonamido)butanoicacidZ456745144-(2,3,5,6-tetramethylphenylsulfonamido)butanoic acidF1142-4270
Database identifiers
- CAS
733044-79-6- PubChem CID
- 2437240
- EC Number
- 103-720-4
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 91.9 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 415
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
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, 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 CategoriesAcute Tox. 4 (100%)
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Related reactions
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Compound notes
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