3-(2-Amino-4-methylphenoxy)propanesulphonic acid

Base Information

• Chemical Name: 3-(2-Amino-4-methylphenoxy)propanesulphonic acid
• CAS No.: 79392-40-8
• Molecular Formula: C10H15 N O4 S
• Molecular Weight: 245.299
• European Community (EC) Number: 279-145-9
• UNII: 8TQ37V8D2J
• DSSTox Substance ID: DTXSID401000447
• Nikkaji Number: J319.264D
• Wikidata: Q82994049
• Mol file: 79392-40-8.mol

Synonyms:79392-40-8;3-(2-Amino-4-methylphenoxy)propanesulphonic acid;3-(2-amino-4-methylphenoxy)propane-1-sulfonic acid;EINECS 279-145-9;3-(2-Amino-4-methylphenoxy)-1-propanesulfonic acid;8TQ37V8D2J;SCHEMBL1485984;DTXSID401000447;2-(3-Sulfopropoxy)-5-methylaniline;Benzenepropanesulfonic acid, 2-amino-4-methyl-;1-Propanesulfonic acid, 3-(2-amino-4-methylphenoxy)-

Chemical Property of 3-(2-Amino-4-methylphenoxy)propanesulphonic acid

Chemical Property:

• PSA: 98.00000
• Density: 1.336g/cm³
• LogP: 2.89590
• XLogP3: 1
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 5
• Exact Mass: 245.07217913
• Heavy Atom Count: 16
• Complexity: 298

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC(=C(C=C1)OCCCS(=O)(=O)O)N

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