1-Amino-9,10-dihydro-4-((4-((2-hydroxyethyl)sulphonyl)phenyl)amino)-9,10-dioxoanthracene-2-sulphonic acid

Base Information

• Chemical Name: 1-Amino-9,10-dihydro-4-((4-((2-hydroxyethyl)sulphonyl)phenyl)amino)-9,10-dioxoanthracene-2-sulphonic acid
• CAS No.: 68399-94-0
• Molecular Formula: C22H18N2O8S2
• Molecular Weight: 502.5169
• European Community (EC) Number: 270-000-5
• DSSTox Substance ID: DTXSID20218529
• Nikkaji Number: J106.051A
• Wikidata: Q83095406
• Mol file: 68399-94-0.mol

Synonyms:68399-94-0;EINECS 270-000-5;1-Amino-9,10-dihydro-4-((4-((2-hydroxyethyl)sulphonyl)phenyl)amino)-9,10-dioxoanthracene-2-sulphonic acid;1-amino-9,10-dihydro-4-[[4-[(2-hydroxyethyl)sulphonyl]phenyl]amino]-9,10-dioxoanthracene-2-sulphonic acid;DTXSID20218529;1-Amino-4-[p-(2-hydroxyethylsulfonyl)anilino]-9,10-dihydro-9,10-dioxoanthracene-2-sulfonic acid;2-Anthracenesulfonic acid, 1-amino-9,10-dihydro-4-[[4-[(2-hydroxyethyl)sulfonyl]phenyl]amino]-9,10-dioxo-

Chemical Property of 1-Amino-9,10-dihydro-4-((4-((2-hydroxyethyl)sulphonyl)phenyl)amino)-9,10-dioxoanthracene-2-sulphonic acid

Chemical Property:

• Boiling Point: °Cat760mmHg
• PKA: -1.22±0.20(Predicted)
• Flash Point: °C
• PSA: 197.69000
• Density: 1.642g/cm³
• LogP: 4.61630
• XLogP3: 2.1
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 10
• Rotatable Bond Count: 6
• Exact Mass: 502.05045788
• Heavy Atom Count: 34
• Complexity: 995

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C2C(=C1)C(=O)C3=C(C2=O)C(=C(C=C3NC4=CC=C(C=C4)S(=O)(=O)CCO)S(=O)(=O)O)N