N-tert-butyl-1-(2-sulfophenyl)methanimine oxide

Base Information

• Chemical Name: N-tert-butyl-1-(2-sulfophenyl)methanimine oxide
• CAS No.: 113443-50-8
• Molecular Formula: C11H15 N O4 S
• Molecular Weight: 257.31
• ChEMBL ID: CHEMBL4595269
• Mol file: 113443-50-8.mol

Synonyms:2-SPBN;2-sulfoxy phenyl-N-tert-butylnitrone sodium salt;N-tert-butyl-(2-sulfophenyl)nitrone;N-tert-butyl-alpha-(2-sulfophenyl)nitrone;sodium 2-sulfophenyl-N-tert-butyl nitrone

Chemical Property of N-tert-butyl-1-(2-sulfophenyl)methanimine oxide

Chemical Property:

• Boiling Point: °Cat760mmHg
• Flash Point: °C
• PSA: 91.50000
• Density: 1.275g/cm³
• LogP: 3.26500
• XLogP3: 0.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 257.07217913
• Heavy Atom Count: 17
• Complexity: 389

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)(C)[N+](=CC1=CC=CC=C1S(=O)(=O)O)[O-]
• Isomeric SMILES: CC(C)(C)/[N+](=C/C1=CC=CC=C1S(=O)(=O)O)/[O-]

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