2-amino-4-{2-[(2-chlorobenzyl)oxy]phenyl}-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile

Base Information

• Chemical Name: 2-amino-4-{2-[(2-chlorobenzyl)oxy]phenyl}-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile
• CAS No.: 4610-19-9
• Molecular Formula: C15H23 N O2 . Cl H
• Molecular Weight: 406.8616
• DSSTox Substance ID: DTXSID90412198
• Mol file: 4610-19-9.mol

Synonyms:4610-19-9;AC1NR8D1;2-amino-4-{2-[(2-chlorobenzyl)oxy]phenyl}-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile;Oprea1_468970;DTXSID90412198;AKOS005609266

Chemical Property of 2-amino-4-{2-[(2-chlorobenzyl)oxy]phenyl}-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile

Chemical Property:

• Vapor Pressure: 4.27E-17mmHg at 25°C
• Boiling Point: 656.2°C at 760 mmHg
• Flash Point: 350.7°C
• Density: 1.37g/cm³
• XLogP3: 4.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 4
• Exact Mass: 406.1084202
• Heavy Atom Count: 29
• Complexity: 765

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CC2=C(C(C(=C(O2)N)C#N)C3=CC=CC=C3OCC4=CC=CC=C4Cl)C(=O)C1