2-Amino-4-(1,3-benzodioxol-5-yl)-5-oxo-7-phenyl-4,6,7,8-tetrahydrochromene-3-carbonitrile

Base Information

• Chemical Name: 2-Amino-4-(1,3-benzodioxol-5-yl)-5-oxo-7-phenyl-4,6,7,8-tetrahydrochromene-3-carbonitrile
• CAS No.: 5282-43-9
• Molecular Formula: C23H18N2O4
• Molecular Weight: 386.4
• DSSTox Substance ID: DTXSID80385589
• ChEMBL ID: CHEMBL516954

Synonyms:2-amino-4-(1,3-benzodioxol-5-yl)-5-oxo-7-phenyl-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile;5282-43-9;MLS000392027;Cambridge id 5282439;DTXSID80385589;HMS2552P08;STK207904;AKOS000558797;AKOS016186770;2-amino-4-(1,3-benzodioxol-5-yl)-5-oxo-7-phenyl-4,6,7,8-tetrahydrochromene-3-carbonitrile;SMR000102547;AB00079075-01

Chemical Property of 2-Amino-4-(1,3-benzodioxol-5-yl)-5-oxo-7-phenyl-4,6,7,8-tetrahydrochromene-3-carbonitrile

Chemical Property:

• Vapor Pressure: 9.06E-17mmHg at 25°C
• Boiling Point: 649.8°C at 760 mmHg
• Flash Point: 346.8°C
• Density: 1.42g/cm³
• XLogP3: 3.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 2
• Exact Mass: 386.12665706
• Heavy Atom Count: 29
• Complexity: 801

Purity/Quality:

Safty Information:

• Pictogram(s):  
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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1C(CC(=O)C2=C1OC(=C(C2C3=CC4=C(C=C3)OCO4)C#N)N)C5=CC=CC=C5

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