2-[(4-Aminophenyl)(methyl)amino]ethane-1-sulfonic acid

Base Information

• Chemical Name: 2-[(4-Aminophenyl)(methyl)amino]ethane-1-sulfonic acid
• CAS No.: 6253-69-6
• Molecular Formula: C9H14N2O3S
• Molecular Weight: 230.28406
• DSSTox Substance ID: DTXSID40577281
• Wikidata: Q82467237
• Mol file: 6253-69-6.mol

Synonyms:6253-69-6;2-(4-amino-N-methylanilino)ethanesulfonic acid;2-[(4-Aminophenyl)(methyl)amino]ethane-1-sulfonic acid;N-METHYL-N-4-AMINOPHENYLTAURINE;SCHEMBL9635096;DTXSID40577281

Chemical Property of 2-[(4-Aminophenyl)(methyl)amino]ethane-1-sulfonic acid

Chemical Property:

• PSA: 92.01000
• LogP: 2.25480
• XLogP3: 0.2
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 4
• Exact Mass: 230.07251349
• Heavy Atom Count: 15
• Complexity: 278

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CN(CCS(=O)(=O)O)C1=CC=C(C=C1)N

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