8-Hydroxy-N,N,N',N',N'',N''-hexamethylpyrene-1,3,6-trisulfonamide

Base Information

• Chemical Name: 8-Hydroxy-N,N,N',N',N'',N''-hexamethylpyrene-1,3,6-trisulfonamide
• CAS No.: 127044-59-1
• Molecular Formula: C₂₂H₂₅N₃O₇S₃
• Molecular Weight: 539.654
• European Community (EC) Number: 635-038-2
• DSSTox Substance ID: DTXSID50405127
• Nikkaji Number: J2.104.220J
• Wikidata: Q82209532
• Mol file: 127044-59-1.mol

Synonyms:127044-59-1;8-Hydroxy-N,N,N',N',N'',N''-hexamethylpyrene-1,3,6-trisulfonamide;8-Hydroxypyrene-1,3,6-tris(dimethylsulfonamide);8-hydroxy-1-N,1-N,3-N,3-N,6-N,6-N-hexamethylpyrene-1,3,6-trisulfonamide;A 205;8-Hydroxy-N,N,N',N',N'',N''-hexamethyl-pyrene-1,3,6-trisulfonamide;A205;A-205;SCHEMBL16593430;DTXSID50405127;8-Hydroxy-N,N,N',N',N",N"-hexamethylpyrene-1,3,6-trisulfonamide;MFCD00037576;FT-0712186;J-100181;8-Hydroxy-N,N,N,N,N,N-hexamethylpyrene-1,3,6-trisulfonamide;8-Hydroxy-N,N,N',N',N",N"-hexamethyl-pyrene-1,3,6-trisulfomide;8-hydroxy-N1,N1,N3,N3,N6,N6-hexamethylpyrene-1,3,6-trisulfonamide;8-Hydroxy-N,N,N',N',N",N"-hexamethylpyrene-1,3,6-trisulfonamide, suitable for fluorescence, >=95% (HPCE)

Chemical Property of 8-Hydroxy-N,N,N',N',N'',N''-hexamethylpyrene-1,3,6-trisulfonamide

Chemical Property:

• Melting Point: 276 °C(lit.)
• Boiling Point: 780.7±70.0 °C(Predicted)
• PKA: 6.02±0.30(Predicted)
• PSA: 157.51000
• Density: 1.511±0.06 g/cm3(Predicted)
• LogP: 5.28290
• Solubility.: DMF: soluble
• XLogP3: 2.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 10
• Rotatable Bond Count: 6
• Exact Mass: 539.08546367
• Heavy Atom Count: 35
• Complexity: 1120

Purity/Quality:

99% ^*data from raw suppliers

8-Hydroxy-N,N,N′,N′,N?″,N?″-hexamethylpyrene-1,3,6-trisulfonamide suitable for fluorescence, ≥95% (HPCE) ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CN(C)S(=O)(=O)C1=CC(=C2C=CC3=C(C=C(C4=C3C2=C1C=C4)O)S(=O)(=O)N(C)C)S(=O)(=O)N(C)C