2-[3-(Dimethylamino)-6-dimethylazaniumylidenexanthen-9-yl]-5-(2,5-dioxopyrrol-1-yl)benzoate

Base Information

• Chemical Name: 2-[3-(Dimethylamino)-6-dimethylazaniumylidenexanthen-9-yl]-5-(2,5-dioxopyrrol-1-yl)benzoate
• CAS No.: 174568-68-4
• Molecular Formula: C28H23N3O5
• Molecular Weight: 481.50
• DSSTox Substance ID: DTXSID80402184
• Wikidata: Q72507772
• Mol file: 174568-68-4.mol

Synonyms:2-[3-(dimethylamino)-6-dimethylazaniumylidenexanthen-9-yl]-5-(2,5-dioxopyrrol-1-yl)benzoate;Xanthylium, 9-[2-carboxy-5-(2,5-dihydro-2,5-dioxo-1H-pyrrol-1-yl)phenyl]-3,6-bis(dimethylamino)-, inner salt;SCHEMBL5442366;DTXSID80402184;MFCD31010429;J-100247;2-(6-(dimethylamino)-3-(dimethyliminio)-3H-xanthen-9-yl)-5-(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)benzoate

Chemical Property of 2-[3-(Dimethylamino)-6-dimethylazaniumylidenexanthen-9-yl]-5-(2,5-dioxopyrrol-1-yl)benzoate

Chemical Property:

• PSA: 97.13000
• LogP: 3.52400
• Storage Temp.: −20°C
• Solubility.: DMSO: soluble
• XLogP3: 2.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 3
• Exact Mass: 481.16377084
• Heavy Atom Count: 36
• Complexity: 1070

Purity/Quality:

98%Min ^*data from raw suppliers

Tetramethylrhodamine-6-maleimide ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn
• Hazard Codes: Xn
• Statements: 22-36/37/38
• Safety Statements: 36

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CN(C)C1=CC2=C(C=C1)C(=C3C=CC(=[N+](C)C)C=C3O2)C4=C(C=C(C=C4)N5C(=O)C=CC5=O)C(=O)[O-]
• Uses: Tetramethylrhodamine-6-maleimide is a compound used for thiol modifications of nucleotides and nucleic acids.