2-Methyl-3-((2-methyl-1-oxoallyl)amino)propanesulphonate

Base Information

• Chemical Name: 2-Methyl-3-((2-methyl-1-oxoallyl)amino)propanesulphonate
• CAS No.: 80675-31-6
• Molecular Formula: C8H15 N O4 S
• Molecular Weight: 220.26606
• European Community (EC) Number: 279-529-6
• DSSTox Substance ID: DTXSID101001408
• Nikkaji Number: J320.299B
• Mol file: 80675-31-6.mol

Synonyms:80675-31-6;EINECS 279-529-6;2-Methyl-3-((2-methyl-1-oxoallyl)amino)propanesulphonate;SCHEMBL462252;DTXSID101001408;2-Methyl-N-(2-methyl-3-sulfopropyl)prop-2-enimidic acid;2-methyl-3-[(2-methyl-1-oxo-2-propenyl)amino]-1-propanesulfonic acid

Chemical Property of 2-Methyl-3-((2-methyl-1-oxoallyl)amino)propanesulphonate

Chemical Property:

• PSA: 98.17000
• LogP: 1.99620
• XLogP3: 0.2
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 5
• Exact Mass: 221.07217913
• Heavy Atom Count: 14
• Complexity: 315

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(CNC(=O)C(=C)C)CS(=O)(=O)O

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