2-(Decanoylamino)ethanesulfonic acid

Base Information

• Chemical Name: 2-(Decanoylamino)ethanesulfonic acid
• CAS No.: 50613-53-1
• Molecular Formula: C12H25NO4S
• Molecular Weight: 279.39600
• DSSTox Substance ID: DTXSID30367178
• Wikidata: Q82152844
• Mol file: 50613-53-1.mol

Synonyms:2-(decanoylamino)ethanesulfonic acid;50613-53-1;CBDivE_002391;SCHEMBL258781;DTXSID30367178

Chemical Property of 2-(Decanoylamino)ethanesulfonic acid

Chemical Property:

• PSA: 95.34000
• Density: 1.112±0.06 g/cm3(Predicted)
• LogP: 4.05220
• XLogP3: 2.5
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 11
• Exact Mass: 279.15042945
• Heavy Atom Count: 18
• Complexity: 309

Purity/Quality:

Safty Information:

• Pictogram(s):  
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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCCCCCC(=O)NCCS(=O)(=O)O

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