(2,3,5,6-Tetramethyl-benzenesulfonylamino)-acetic acid

Base Information

• Chemical Name: (2,3,5,6-Tetramethyl-benzenesulfonylamino)-acetic acid
• CAS No.: 379250-94-9
• Molecular Formula: C12H17NO4S
• Molecular Weight: 271.33
• Hs Code.: 2935009090
• DSSTox Substance ID: DTXSID40352616
• Wikidata: Q82129861
• ChEMBL ID: CHEMBL1461810
• Mol file: 379250-94-9.mol

Synonyms:379250-94-9;(2,3,5,6-Tetramethyl-benzenesulfonylamino)-acetic acid;((2,3,5,6-tetramethylphenyl)sulfonyl)glycine;2-[(2,3,5,6-tetramethylphenyl)sulfonylamino]acetic acid;MFCD02333806;2-(2,3,5,6-tetramethylbenzenesulfonamido)acetic acid;2-(2,3,5,6-tetramethylphenylsulfonamido)acetic acid;Glycine,N-[(2,3,5,6-tetramethylphenyl)sulfonyl]-;SMR000150189;Oprea1_694560;MLS000570206;F1143-4513;CHEMBL1461810;DTXSID40352616;HMS2329N22;STK982094;AKOS000116486;HY-W028444;CS-0072468;EN300-05992;N-(2,3,5,6-Tetramethylphenylsulfonyl)glycine;N-[(2,3,5,6-tetramethylphenyl)sulfonyl]glycine;AE-641/40790858;SR-01000010623;2-(2,3,5,6-tetramethylphenylsulfonamido)aceticacid;SR-01000010623-1;Z45658554;{[(2,3,5,6-tetramethylphenyl)sulfonyl]amino}acetic acid;(2,3,5,6-tetramethyl-benzenesulfonylamino)-acetic acid, AldrichCPR

Chemical Property of (2,3,5,6-Tetramethyl-benzenesulfonylamino)-acetic acid

Chemical Property:

• Vapor Pressure: 2.74E-10mmHg at 25°C
• Melting Point: 166-167℃
• Refractive Index: 1.547
• Boiling Point: 486.8 °C at 760 mmHg
• PKA: 3.33±0.10(Predicted)
• Flash Point: 248.2 °C
• PSA: 91.85000
• Density: 1.254 g/cm³
• LogP: 2.75480
• XLogP3: 1.9
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 4
• Exact Mass: 271.08782920
• Heavy Atom Count: 18
• Complexity: 387

Purity/Quality:

99% ^*data from raw suppliers

((2,3,5,6-Tetramethylphenyl)sulfonyl)glycine 95%+ ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn
• Hazard Codes: Xn
• Statements: 22-36

MSDS Files:

Useful:

• Canonical SMILES: CC1=CC(=C(C(=C1C)S(=O)(=O)NCC(=O)O)C)C