2-(2,4-Bis(1,1-dimethylpropyl)phenoxy)-N-(4-((((4-cyanophenyl)amino)carbonyl)amino)-3,6-dioxocyclohexa-1,4-dien-1-yl)hexanamide

Base Information

• Chemical Name: 2-(2,4-Bis(1,1-dimethylpropyl)phenoxy)-N-(4-((((4-cyanophenyl)amino)carbonyl)amino)-3,6-dioxocyclohexa-1,4-dien-1-yl)hexanamide
• CAS No.: 94313-65-2
• Molecular Formula: C36H44 N4 O5
• Molecular Weight: 612.75836
• European Community (EC) Number: 304-963-0
• DSSTox Substance ID: DTXSID80915683
• Nikkaji Number: J326.469F
• Mol file: 94313-65-2.mol

Synonyms:EINECS 304-963-0;94313-65-2;2-(2,4-Bis(1,1-dimethylpropyl)phenoxy)-N-(4-((((4-cyanophenyl)amino)carbonyl)amino)-3,6-dioxocyclohexa-1,4-dien-1-yl)hexanamide;2-[2,4-BIS(1,1-DIMETHYLPROPYL)PHENOXY]-N-[4-[[[(4-CYANOPHENYL)AMINO]CARBONYL]AMINO]-3,6-DIOXOCYCLOHEXA-1,4-DIEN-1-YL]HEXANAMIDE;DTXSID80915683;C36H44N4O5;C36-H44-N4-O5;2-[2,4-Bis(1,1-dimethylpropyl)phenoxy]-N-[4-[[[(4-cyanophenyl)amino]carbonyl]amino]-3,6-dioxo-1,4-cyclohexadien-1-yl]hexanamide;2-[2,4-Bis(2-methylbutan-2-yl)phenoxy]-N-(4-{[(4-cyanoanilino)(hydroxy)methylidene]amino}-3,6-dioxocyclohexa-1,4-dien-1-yl)hexanimidic acid

Chemical Property of 2-(2,4-Bis(1,1-dimethylpropyl)phenoxy)-N-(4-((((4-cyanophenyl)amino)carbonyl)amino)-3,6-dioxocyclohexa-1,4-dien-1-yl)hexanamide

Chemical Property:

• Vapor Pressure: 1.84E-22mmHg at 25°C
• Boiling Point: 751.4°Cat760mmHg
• Flash Point: 408.2°C
• PSA: 144.37000
• Density: 1.18g/cm³
• LogP: 7.84628
• XLogP3: 7.9
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 13
• Exact Mass: 612.33117052
• Heavy Atom Count: 45
• Complexity: 1200

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCC(C(=O)NC1=CC(=O)C(=CC1=O)NC(=O)NC2=CC=C(C=C2)C#N)OC3=C(C=C(C=C3)C(C)(C)CC)C(C)(C)CC