C25H22N2O7S

Base Information

• Chemical Name: C25H22N2O7S
• CAS No.: 85455-38-5
• Molecular Formula: C25H22N2O7S
• Molecular Weight: 494.5164
• European Community (EC) Number: 287-273-1
• DSSTox Substance ID: DTXSID101121454
• Nikkaji Number: J354.472I
• Mol file: 85455-38-5.mol

Synonyms:85455-38-5;C25H22N2O7S;DTXSID101121454;C25-H22-N2-O7-S;1-(2-Methylpropyl) 3-[(4-amino-9,10-dihydro-9,10-dioxo-3-sulfo-1-anthracenyl)amino]benzoate;3-[[(4-Amino-9,10-dihydro-9,10-dioxo-3-hydroxysulfonylanthracen)-1-yl]amino]benzoic acid 2-methylpropyl ester

Chemical Property of C25H22N2O7S

Chemical Property:

• Boiling Point: °Cat760mmHg
• Flash Point: °C
• Density: 1.463g/cm³
• XLogP3: 4.8
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 9
• Rotatable Bond Count: 7
• Exact Mass: 494.11477222
• Heavy Atom Count: 35
• Complexity: 931

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

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Useful:

• Canonical SMILES: CC(C)COC(=O)C1=CC(=CC=C1)NC2=CC(=C(C3=C2C(=O)C4=CC=CC=C4C3=O)N)S(=O)(=O)O

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