Benzoic acid, 4-[1-[[[2-chloro-5-[[1-oxo-2-(3-pentadecylphenoxy)butyl]amino]phenyl]amino]carbonyl]-3,3-dimethyl-2-oxobutoxy]-

Base Information

• Chemical Name: Benzoic acid, 4-[1-[[[2-chloro-5-[[1-oxo-2-(3-pentadecylphenoxy)butyl]amino]phenyl]amino]carbonyl]-3,3-dimethyl-2-oxobutoxy]-
• CAS No.: 60247-55-4
• Molecular Formula: C45H61ClN2O7
• Molecular Weight: 777.428
• DSSTox Substance ID: DTXSID00886386
• Nikkaji Number: J429.405J
• Mol file: 60247-55-4.mol

Synonyms:60247-55-4;Benzoic acid, 4-[1-[[[2-chloro-5-[[1-oxo-2-(3-pentadecylphenoxy)butyl]amino]phenyl]amino]carbonyl]-3,3-dimethyl-2-oxobutoxy]-;4-(1-(((2-Chloro-5-((1-oxo-2-(3-pentadecylphenoxy)butyl)amino)phenyl)amino)carbonyl)-3,3-dimethyl-2-oxobutoxy)benzoic acid;Benzoic acid, 4-(1-(((2-chloro-5-((1-oxo-2-(3-pentadecylphenoxy)butyl)amino)phenyl)amino)carbonyl)-3,3-dimethyl-2-oxobutoxy)-;4-[1-[[[2-Chloro-5-[[1-oxo-2-(3-pentadecylphenoxy)butyl]amino]phenyl]amino]carbonyl]-3,3-dimethyl-2-oxobutoxy]benzoic acid;C45H61ClN2O7;DTXSID00886386;C45-H61-Cl-N2-O7

Chemical Property of Benzoic acid, 4-[1-[[[2-chloro-5-[[1-oxo-2-(3-pentadecylphenoxy)butyl]amino]phenyl]amino]carbonyl]-3,3-dimethyl-2-oxobutoxy]-

Chemical Property:

• Vapor Pressure: 3.57E-34mmHg at 25°C
• Boiling Point: 892°Cat760mmHg
• Flash Point: 493.3°C
• PSA: 138.01000
• Density: 1.147g/cm³
• LogP: 12.76830
• XLogP3: 14.5
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 26
• Exact Mass: 776.4167300
• Heavy Atom Count: 55
• Complexity: 1140

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCCCCCCCCCCCC1=CC(=CC=C1)OC(CC)C(=O)NC2=CC(=C(C=C2)Cl)NC(=O)C(C(=O)C(C)(C)C)OC3=CC=C(C=C3)C(=O)O