[3-[[(3-Cyanophenyl)carbamoyl-(2-methylpropyl)amino]methyl]phenyl] methanesulfonate

Base Information

• Chemical Name: [3-[[(3-Cyanophenyl)carbamoyl-(2-methylpropyl)amino]methyl]phenyl] methanesulfonate
• CAS No.: 6020-50-4
• Molecular Formula: C17H21 N O2 . 1/2 H2 O
• Molecular Weight: 401.4793
• DSSTox Substance ID: DTXSID80409996
• Wikidata: Q82216033
• Mol file: 6020-50-4.mol

Synonyms:6020-50-4;[3-[[(3-cyanophenyl)carbamoyl-(2-methylpropyl)amino]methyl]phenyl] methanesulfonate;DTXSID80409996

Chemical Property of [3-[[(3-Cyanophenyl)carbamoyl-(2-methylpropyl)amino]methyl]phenyl] methanesulfonate

Chemical Property:

• Vapor Pressure: 6.29E-16mmHg at 25°C
• Boiling Point: 633°C at 760 mmHg
• Flash Point: 336.6°C
• Density: 1.29g/cm³
• XLogP3: 3.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 7
• Exact Mass: 401.14092740
• Heavy Atom Count: 28
• Complexity: 665

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)CN(CC1=CC(=CC=C1)OS(=O)(=O)C)C(=O)NC2=CC=CC(=C2)C#N