Cyanine 863

Base Information

• Chemical Name: Cyanine 863
• CAS No.: 550-15-2
• Deprecated CAS: 11027-25-1,12701-70-1
• Molecular Formula: C24H24 N3 . Cl
• Molecular Weight: 389.92
• DSSTox Substance ID: DTXSID20883438
• Mol file: 550-15-2.mol

Synonyms:1-ethyl-2-((1,4-dimethyl-2-phenyl-6-pyrimidinylidene)methyl)quinolinium chloride;cyanine 863

Chemical Property of Cyanine 863

Chemical Property:

• Vapor Pressure: 9E-11mmHg at 25°C
• Boiling Point: 516.4°C at 760 mmHg
• Flash Point: 266.1°C
• PSA: 21.70000
• Density: 1.08g/cm³
• LogP: 0.97000
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 389.1658755
• Heavy Atom Count: 28
• Complexity: 548

Purity/Quality:

99% ^*data from raw suppliers

1-ETHYL-2-[(1,4-DIMETHYL-2-PHENYL-6-PYRIMIDINYLIDENE)METHYL]QUINOLINIUM CHLORIDE 98.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCN1C(=CC2=[N+](C(=NC(=C2)C)C3=CC=CC=C3)C)C=CC4=CC=CC=C41.[Cl-]
• Isomeric SMILES: CCN1/C(=C/C2=[N+](C(=NC(=C2)C)C3=CC=CC=C3)C)/C=CC4=CC=CC=C41.[Cl-]