(E)-but-2-enedioic acid;N-[2-(2,4-dimethylpyrrolidin-1-yl)ethyl]naphthalene-2-sulfonamide

Base Information

• Chemical Name: (E)-but-2-enedioic acid;N-[2-(2,4-dimethylpyrrolidin-1-yl)ethyl]naphthalene-2-sulfonamide
• CAS No.: 96627-71-3
• Molecular Formula: C22H28N2O6S
• Molecular Weight: 448.5325
• Mol file: 96627-71-3.mol

Synonyms:BRL 31660;BRL-31660;N-(2-(alpha-naphthalenesulfonamide)ethyl)-2,4-dimethylpyrrolidine

Chemical Property of (E)-but-2-enedioic acid;N-[2-(2,4-dimethylpyrrolidin-1-yl)ethyl]naphthalene-2-sulfonamide

Chemical Property:

• Vapor Pressure: 6.79E-10mmHg at 25°C
• Boiling Point: 493.8°Cat760mmHg
• Flash Point: 252.5°C
• Density: g/cm³
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 7
• Exact Mass: 448.16680779
• Heavy Atom Count: 31
• Complexity: 607

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC1CC(N(C1)CCNS(=O)(=O)C2=CC3=CC=CC=C3C=C2)C.C(=CC(=O)O)C(=O)O
• Isomeric SMILES: CC1CC(N(C1)CCNS(=O)(=O)C2=CC3=CC=CC=C3C=C2)C.C(=C/C(=O)O)\C(=O)O