3-[(2,3-Dimethoxyphenyl)methylamino]propane-1-sulfonic acid

Base Information

• Chemical Name: 3-[(2,3-Dimethoxyphenyl)methylamino]propane-1-sulfonic acid
• CAS No.: 720699-20-7
• Molecular Formula: C12H19NO5S
• DSSTox Substance ID: DTXSID00467018
• Wikidata: Q82293762

Synonyms:720699-20-7;AGN-PC-009S6M;SCHEMBL917350;DTXSID00467018;NEIQBJTUWSHRNP-UHFFFAOYSA-N;3-(2,3-dimethoxybenzyl)amino-1-propanesulfonic acid

Chemical Property of 3-[(2,3-Dimethoxyphenyl)methylamino]propane-1-sulfonic acid

Chemical Property:

• XLogP3: -1.8
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 8
• Exact Mass: 289.09839388
• Heavy Atom Count: 19
• Complexity: 341

Purity/Quality:

85.0-99.8% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=CC=CC(=C1OC)CNCCCS(=O)(=O)O

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