4-(2-{2-Chloro-3-[2-(1-ethylquinolin-4(1H)-ylidene)ethylidene]cyclohex-1-en-1-yl}ethenyl)-1-ethylquinolin-1-ium bromide

Base Information

• Chemical Name: 4-(2-{2-Chloro-3-[2-(1-ethylquinolin-4(1H)-ylidene)ethylidene]cyclohex-1-en-1-yl}ethenyl)-1-ethylquinolin-1-ium bromide
• CAS No.: 151648-23-6
• Molecular Formula: C32H32 Cl N2 . Br
• Molecular Weight: 559.97
• DSSTox Substance ID: DTXSID90721696
• Mol file: 151648-23-6.mol

Synonyms:151648-23-6;(4E)-4-[(2E)-2-[2-chloro-3-[(E)-2-(1-ethylquinolin-1-ium-4-yl)ethenyl]cyclohex-2-en-1-ylidene]ethylidene]-1-ethylquinoline;bromide;DTXSID90721696;4-(2-{2-Chloro-3-[2-(1-ethylquinolin-4(1H)-ylidene)ethylidene]cyclohex-1-en-1-yl}ethenyl)-1-ethylquinolin-1-ium bromide

Chemical Property of 4-(2-{2-Chloro-3-[2-(1-ethylquinolin-4(1H)-ylidene)ethylidene]cyclohex-1-en-1-yl}ethenyl)-1-ethylquinolin-1-ium bromide

Chemical Property:

• Refractive Index: ">
• Boiling Point: °Cat760mmHg
• Flash Point: °C
• PSA: 8.81000
• Density: g/cm³
• LogP: 4.50400
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 5
• Exact Mass: 558.14374
• Heavy Atom Count: 36
• Complexity: 827

Purity/Quality:

99% ^*data from raw suppliers

4-(2-(2-Chloro-3-[2-(1-ethyl-1,4-dihydro-4-quinolinyliden)ethylidene]-1-cyclohexenyl)-1-ethenyl)-1-ethylquinoliniumbromide ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCN1C=CC(=CC=C2CCCC(=C2Cl)C=CC3=CC=[N+](C4=CC=CC=C34)CC)C5=CC=CC=C51.[Br-]
• Isomeric SMILES: CCN1C=C/C(=C\C=C\2/CCCC(=C2Cl)/C=C/C3=CC=[N+](C4=CC=CC=C34)CC)/C5=CC=CC=C51.[Br-]