5-Amino-4-methoxy-2-methylbenzenesulfonic acid

Base Information

• Chemical Name: 5-Amino-4-methoxy-2-methylbenzenesulfonic acid
• CAS No.: 53416-49-2
• Molecular Formula: C8H11NO4S
• Molecular Weight: 217.24
• UNII: 8MG9638LTE
• DSSTox Substance ID: DTXSID50543891
• Wikidata: Q82420853
• Wikipedia: Cresidinesulfonic_acid
• Mol file: 53416-49-2.mol

Synonyms:53416-49-2;5-Amino-4-methoxy-2-methylbenzenesulfonic acid;4-AMINO-5-METHOXYTOLUENE-2-SULFONIC ACID;Cresidinesulfonic acid;Cresidine sulfonic acid;8MG9638LTE;UNII-8MG9638LTE;4-amino-3-methoxytoluene-6-sulfonic acid;Benzenesulfonic acid, 5-amino-4-methoxy-2-methyl-;SCHEMBL4882116;DTXSID50543891;5-Amino-4-methoxy-2-methylbenzene-1-sulfonic acid

Chemical Property of 5-Amino-4-methoxy-2-methylbenzenesulfonic acid

Chemical Property:

• PSA: 98.00000
• LogP: 2.49450
• XLogP3: 0.3
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 2
• Exact Mass: 217.04087901
• Heavy Atom Count: 14
• Complexity: 284

Purity/Quality:

99% ^*data from raw suppliers

4-AMINO-5-METHOXYTOLUENE-2-SULFONIC ACID 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC(=C(C=C1S(=O)(=O)O)N)OC

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