2-Nitrobutane-1-sulfonic acid

Base Information

• Chemical Name: 2-Nitrobutane-1-sulfonic acid
• CAS No.: 6293-53-4
• Molecular Formula: C4H9 N O5 S . H3 N
• Molecular Weight: 200.21348
• European Community (EC) Number: 228-554-0
• ChEMBL ID: CHEMBL2009806
• Mol file: 6293-53-4.mol

Synonyms:NSC3767;NSC8960;2-(Hydroxy(oxido)amino)-1-butanesulfonic acid;6293-53-4;2-nitrobutane-1-sulfonic acid;1-Butanesulfonic acid, 2-nitro-, ammonium salt;CHEMBL2009806;NCI60_041991;Butanesulfonic acid, 2-nitro-, ammonium salt

Chemical Property of 2-Nitrobutane-1-sulfonic acid

Chemical Property:

• PSA: 111.81000
• Density: 1.45g/cm³
• LogP: 1.85740
• XLogP3: -0.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 3
• Exact Mass: 183.02014356
• Heavy Atom Count: 11
• Complexity: 222

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCC(CS(=O)(=O)O)[N+](=O)[O-]

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