Ethyl 3-[4-[bis[2-(benzoyloxy)ethyl]amino]phenyl]-2,3-dicyanoacrylate

Base Information

• Chemical Name: Ethyl 3-[4-[bis[2-(benzoyloxy)ethyl]amino]phenyl]-2,3-dicyanoacrylate
• CAS No.: 67905-18-4
• Molecular Formula: C31H27N3O6
• Molecular Weight: 537.5626
• European Community (EC) Number: 267-637-6
• UNII: ZR7MH3ZMH5
• DSSTox Substance ID: DTXSID9070799
• Mol file: 67905-18-4.mol

Synonyms:EINECS 267-637-6;Ethyl 3-[4-[bis[2-(benzoyloxy)ethyl]amino]phenyl]-2,3-dicyanoacrylate;p-(Bis(2-hydroxyethyl)amino)-alpha,beta-dicyanocinnamic acid, ethyl ester, dibenzoate;Ethyl 3-(4-(bis(2-(benzoyloxy)ethyl)amino)phenyl)-2,3-dicyanoacrylate;67905-18-4;2-Propenoic acid, 3-(4-(bis(2-(benzoyloxy)ethyl)amino)phenyl)-2,3-dicyano-, ethyl ester;C31H27N3O6;C31-H27-N3-O6;2-Propenoic acid, 3-[4-[bis[2-(benzoyloxy)ethyl]amino]phenyl]-2,3-dicyano-, ethyl ester;DTXSID9070799

Chemical Property of Ethyl 3-[4-[bis[2-(benzoyloxy)ethyl]amino]phenyl]-2,3-dicyanoacrylate

Chemical Property:

• Vapor Pressure: 4.92E-20mmHg at 25°C
• Boiling Point: 710.5°Cat760mmHg
• Flash Point: 383.5°C
• PSA: 129.72000
• Density: 1.263g/cm³
• LogP: 4.57086
• XLogP3: 5.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 9
• Rotatable Bond Count: 15
• Exact Mass: 537.18998559
• Heavy Atom Count: 40
• Complexity: 949

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC(=O)C(=C(C#N)C1=CC=C(C=C1)N(CCOC(=O)C2=CC=CC=C2)CCOC(=O)C3=CC=CC=C3)C#N
• Isomeric SMILES: CCOC(=O)/C(=C(\C#N)/C1=CC=C(C=C1)N(CCOC(=O)C2=CC=CC=C2)CCOC(=O)C3=CC=CC=C3)/C#N

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