1-Naphthalenesulfonic acid, 2-[[6-(acetylamino)-1-hydroxy-3-sulfo-2-naphthalenyl]azo]-6-[[2-(sulfooxy)ethyl]sulfonyl]-

Base Information

• Chemical Name: 1-Naphthalenesulfonic acid, 2-[[6-(acetylamino)-1-hydroxy-3-sulfo-2-naphthalenyl]azo]-6-[[2-(sulfooxy)ethyl]sulfonyl]-
• CAS No.: 68399-89-3
• Molecular Formula: C24H21N3O14S4
• Molecular Weight: 703.6952
• European Community (EC) Number: 269-996-4
• DSSTox Substance ID: DTXSID3071484
• Nikkaji Number: J305.150A
• Mol file: 68399-89-3.mol

Synonyms:EINECS 269-996-4;68399-89-3;1-Naphthalenesulfonic acid, 2-[[6-(acetylamino)-1-hydroxy-3-sulfo-2-naphthalenyl]azo]-6-[[2-(sulfooxy)ethyl]sulfonyl]-;1-Naphthalenesulfonic acid, 2-((6-(acetylamino)-1-hydroxy-3-sulfo-2-naphthalenyl)azo)-6-((2-(sulfooxy)ethyl)sulfonyl)-;1-Naphthalenesulfonic acid, 2-(2-(6-(acetylamino)-1-hydroxy-3-sulfo-2-naphthalenyl)diazenyl)-6-((2-(sulfooxy)ethyl)sulfonyl)-;2-((6-Acetamido-1-hydroxy-3-sulpho-2-naphthyl)azo)-6-((2-(sulphooxy)ethyl)sulphonyl)naphthalene-1-sulphonic acid;2-[[6-acetamido-1-hydroxy-3-sulpho-2-naphthyl]azo]-6-[[2-(sulphooxy)ethyl]sulphonyl]naphthalene-1-sulphonic acid;DTXSID3071484;SCHEMBL13880641;2-[[6-(Acetylamino)-1-hydroxy-3-sulfo-2-naphthyl]azo]-6-[[2-(sulfooxy)ethyl]sulfonyl]-1-naphthalenesulfonic acid

Chemical Property of 1-Naphthalenesulfonic acid, 2-[[6-(acetylamino)-1-hydroxy-3-sulfo-2-naphthalenyl]azo]-6-[[2-(sulfooxy)ethyl]sulfonyl]-

Chemical Property:

• Boiling Point: °Cat760mmHg
• PKA: -3.89±0.18(Predicted)
• Flash Point: °C
• PSA: 314.05000
• Density: 1.79g/cm³
• LogP: 6.57680
• XLogP3: 0.7
• Hydrogen Bond Donor Count: 5
• Hydrogen Bond Acceptor Count: 16
• Rotatable Bond Count: 10
• Exact Mass: 702.99063705
• Heavy Atom Count: 45
• Complexity: 1540

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=O)NC1=CC2=CC(=C(C(=C2C=C1)O)N=NC3=C(C4=C(C=C3)C=C(C=C4)S(=O)(=O)CCOS(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O

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