2-(4-((1,3-Dioxo-3-phenylpropyl)amino)phenyl)-1-octadecyl-1H-benzimidazole-5-sulphonic acid

Base Information

• Chemical Name: 2-(4-((1,3-Dioxo-3-phenylpropyl)amino)phenyl)-1-octadecyl-1H-benzimidazole-5-sulphonic acid
• CAS No.: 5149-72-4
• Molecular Formula: C40H53 N3 O5 S
• Molecular Weight: 687.93092
• European Community (EC) Number: 225-920-1
• DSSTox Substance ID: DTXSID30199471
• Nikkaji Number: J297.913F
• Wikidata: Q83072394
• Mol file: 5149-72-4.mol

Synonyms:5149-72-4;EINECS 225-920-1;2-(4-((1,3-Dioxo-3-phenylpropyl)amino)phenyl)-1-octadecyl-1H-benzimidazole-5-sulphonic acid;2-[4-[(1,3-Dioxo-3-phenylpropyl)amino]phenyl]-1-octadecyl-1H-benzimidazole-5-sulfonic acid;2-[4-[(1,3-dioxo-3-phenylpropyl)amino]phenyl]-1-octadecyl-1h-benzo[d]imidazole-5-sulphonic acid;2-[4-[(1,3-dioxo-3-phenylpropyl)amino]phenyl]-1-octadecyl-1H-benzimidazole-5-sulphonic acid;SCHEMBL22574497;C40H53N3O5S;DTXSID30199471;C40-H53-N3-O5-S

Chemical Property of 2-(4-((1,3-Dioxo-3-phenylpropyl)amino)phenyl)-1-octadecyl-1H-benzimidazole-5-sulphonic acid

Chemical Property:

• PSA: 126.74000
• Density: 1.16g/cm³
• LogP: 11.57680
• XLogP3: 11.9
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 23
• Exact Mass: 687.37059297
• Heavy Atom Count: 49
• Complexity: 1050

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCCCCCCCCCCCCCCN1C2=C(C=C(C=C2)S(=O)(=O)O)N=C1C3=CC=C(C=C3)NC(=O)CC(=O)C4=CC=CC=C4