4-[(5-Chloro-1,3,3-trimethylindol-1-ium-2-yl)methylidene]-2-[[5-(2,5-dioxopyrrolidin-1-yl)oxycarbonyl-1-ethyl-3,3-dimethylindol-2-ylidene]methyl]-3-oxocyclobuten-1-olate

Base Information

• Chemical Name: 4-[(5-Chloro-1,3,3-trimethylindol-1-ium-2-yl)methylidene]-2-[[5-(2,5-dioxopyrrolidin-1-yl)oxycarbonyl-1-ethyl-3,3-dimethylindol-2-ylidene]methyl]-3-oxocyclobuten-1-olate
• CAS No.: 154161-81-6
• Molecular Formula: C34H32 Cl N3 O6
• Molecular Weight: 614.09
• DSSTox Substance ID: DTXSID30408257
• Nikkaji Number: J580.424H
• Mol file: 154161-81-6.mol

Synonyms:Sq-NHS;squaraine-N-hydroxysuccinimide ester

Chemical Property of 4-[(5-Chloro-1,3,3-trimethylindol-1-ium-2-yl)methylidene]-2-[[5-(2,5-dioxopyrrolidin-1-yl)oxycarbonyl-1-ethyl-3,3-dimethylindol-2-ylidene]methyl]-3-oxocyclobuten-1-olate

Chemical Property:

• PSA: 110.06000
• LogP: 5.42380
• Storage Temp.: 2-8°C
• Solubility.: DMF: soluble
• XLogP3: 5.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 6
• Exact Mass: 613.1979634
• Heavy Atom Count: 44
• Complexity: 1420

Purity/Quality:

50%（Fluorescence reagent） ^*data from raw suppliers

SQ-NHS suitable for fluorescence, >50% (coupling to amines) ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CCN1C2=C(C=C(C=C2)C(=O)ON3C(=O)CCC3=O)C(C1=CC4=C(C(=CC5=[N+](C6=C(C5(C)C)C=C(C=C6)Cl)C)C4=O)[O-])(C)C
• Uses: A stable long-wavelength fluorescent label for proteins and other amines.