(E)-3-(6-bromo-1,3-benzodioxol-5-yl)-2-cyano-N-(2-methylcyclohexyl)prop-2-enamide

Base Information

• Chemical Name: (E)-3-(6-bromo-1,3-benzodioxol-5-yl)-2-cyano-N-(2-methylcyclohexyl)prop-2-enamide
• CAS No.: 6291-34-5
• Molecular Formula: C18H19BrN2O3
• Molecular Weight: 391.2591
• DSSTox Substance ID: DTXSID80417617
• Mol file: 6291-34-5.mol

Synonyms:6291-34-5;(E)-3-(6-bromo-1,3-benzodioxol-5-yl)-2-cyano-N-(2-methylcyclohexyl)prop-2-enamide;Ambcb6291345;DTXSID80417617;AKOS000372079;AKOS022170896

Chemical Property of (E)-3-(6-bromo-1,3-benzodioxol-5-yl)-2-cyano-N-(2-methylcyclohexyl)prop-2-enamide

Chemical Property:

• Vapor Pressure: 4.76E-13mmHg at 25°C
• Boiling Point: 571°C at 760 mmHg
• Flash Point: 299.1°C
• Density: 1.47g/cm³
• XLogP3: 4.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 390.05791
• Heavy Atom Count: 24
• Complexity: 556

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1CCCCC1NC(=O)C(=CC2=CC3=C(C=C2Br)OCO3)C#N
• Isomeric SMILES: CC1CCCCC1NC(=O)/C(=C/C2=CC3=C(C=C2Br)OCO3)/C#N