2-{[(2-Chlorophenyl)sulfonyl]amino}-4-methylpentanoic acid

Base Information

• Chemical Name: 2-{[(2-Chlorophenyl)sulfonyl]amino}-4-methylpentanoic acid
• CAS No.: 251097-66-2
• Molecular Formula: C12H16ClNO4S
• Molecular Weight: 305.78
• Hs Code.: 2935009090
• DSSTox Substance ID: DTXSID40377541
• Mol file: 251097-66-2.mol

Synonyms:251097-66-2;2-{[(2-Chlorophenyl)sulfonyl]amino}-4-methylpentanoic acid;2-(2-Chlorophenylsulfonamido)-4-methylpentanoic acid;2-[(2-chlorophenyl)sulfonylamino]-4-methylpentanoic acid;2-(2-chlorobenzenesulfonamido)-4-methylpentanoic acid;Oprea1_466523;DTXSID40377541;((2-Chlorophenyl)sulfonyl)leucine;MFCD00173034;AKOS002682392;AKOS016049376;10G-523S;CS-0333466;2-(2-Chlorophenylsulfonamido)-4-methylpentanoicacid;2-{[(2-Chlorophenyl)sulfonyl]amino}-4-methylpentanoic acid (Bes(2-Cl)-DL-Leu-OH)

Chemical Property of 2-{[(2-Chlorophenyl)sulfonyl]amino}-4-methylpentanoic acid

Chemical Property:

• Melting Point: 164-166°C
• Boiling Point: 470.2±55.0 °C(Predicted)
• PKA: 3.31±0.21(Predicted)
• PSA: 91.85000
• Density: 1.330±0.06 g/cm3(Predicted)
• LogP: 3.58930
• XLogP3: 2.8
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 6
• Exact Mass: 305.0488569
• Heavy Atom Count: 19
• Complexity: 404

Purity/Quality:

98%min ^*data from raw suppliers

2-{[(2-Chlorophenyl)sulfonyl]amino}-4-methylpentanoic acid >95% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)CC(C(=O)O)NS(=O)(=O)C1=CC=CC=C1Cl