3-[Ethyl(4-sulfobenzyl)amino]benzenesulfonic acid

Base Information

• Chemical Name: 3-[Ethyl(4-sulfobenzyl)amino]benzenesulfonic acid
• CAS No.: 6268-04-8
• Molecular Formula: C15H17 N O6 S2
• Molecular Weight: 371.4286
• NSC Number: 37142
• DSSTox Substance ID: DTXSID60284405
• Wikidata: Q82019339
• Mol file: 6268-04-8.mol

Synonyms:6268-04-8;3-[ethyl(4-sulfobenzyl)amino]benzenesulfonic acid;3-[ethyl-[(4-sulfophenyl)methyl]amino]benzenesulfonic acid;3-[Ethyl[(4-sulfophenyl)methyl]amino]benzenesulfonic Acid;NSC37142;DTXSID60284405;NSC-37142

Chemical Property of 3-[Ethyl(4-sulfobenzyl)amino]benzenesulfonic acid

Chemical Property:

• PSA: 128.74000
• Density: 1.484g/cm³
• LogP: 4.36810
• XLogP3: 1.4
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 6
• Exact Mass: 371.04972961
• Heavy Atom Count: 24
• Complexity: 599

Purity/Quality:

3-[Ethyl[(4-sulfophenyl)methyl]amino]benzenesulfonicAcid ^*data from reagent suppliers

Safty Information:

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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCN(CC1=CC=C(C=C1)S(=O)(=O)O)C2=CC(=CC=C2)S(=O)(=O)O
• Uses: 3-[Ethyl[(4-sulfophenyl)methyl]amino]benzenesulfonic Acid, is an intermediate used for the synthesis of more complex biologically active compounds.

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