1,1',3,3'-Tetraethyl-5,5',6,6'-tetrachloroimidacarbocyanine

Base Information

• Chemical Name: 1,1',3,3'-Tetraethyl-5,5',6,6'-tetrachloroimidacarbocyanine
• CAS No.: 21527-78-6
• Molecular Formula: C25H27 Cl4 N4
• Molecular Weight: 525.32
• Wikidata: Q27123648
• Metabolomics Workbench ID: 58434
• ChEMBL ID: CHEMBL2078923
• Mol file: 21527-78-6.mol

Synonyms:5,5',6,6'-tetrachloro-1,1',3,3'-tetraethylbenzimidazolocarbocyanine;5,5',6,6'-tetrachloro-1,1',3,3'-tetraethylimidacarbocyanine iodide;JC-1

Chemical Property of 1,1',3,3'-Tetraethyl-5,5',6,6'-tetrachloroimidacarbocyanine

Chemical Property:

• PSA: 18.67000
• LogP: 7.15320
• XLogP3: 8.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 6
• Exact Mass: 525.096033
• Heavy Atom Count: 33
• Complexity: 625

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCN1C2=CC(=C(C=C2[N+](=C1C=CC=C3N(C4=CC(=C(C=C4N3CC)Cl)Cl)CC)CC)Cl)Cl
• Isomeric SMILES: CCN1C2=CC(=C(C=C2[N+](=C1/C=C/C=C3N(C4=CC(=C(C=C4N3CC)Cl)Cl)CC)CC)Cl)Cl