1,4-Dihydroxy-5,8-bis(3-methylanilino)anthracene-9,10-dione

Base Information

• Chemical Name: 1,4-Dihydroxy-5,8-bis(3-methylanilino)anthracene-9,10-dione
• CAS No.: 99258-95-4
• Molecular Formula: C28H22 N2 O4
• Molecular Weight: 450.49
• European Community (EC) Number: 615-613-4,619-413-8
• DSSTox Substance ID: DTXSID30697886
• Nikkaji Number: J560.692F
• Mol file: 99258-95-4.mol

Synonyms:71839-01-5;1,4-Dihydroxy-5,8-bis(3-methylanilino)anthracene-9,10-dione;99258-95-4;SCHEMBL21567666;DTXSID30697886;FT-0700912;5,8-Dihydroxy-1,4-bis(3-methylphenylamino)-9,10-anthraquinone

Chemical Property of 1,4-Dihydroxy-5,8-bis(3-methylanilino)anthracene-9,10-dione

Chemical Property:

• PSA: 98.66000
• LogP: 6.12320
• XLogP3: 7.1
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 4
• Exact Mass: 450.15795719
• Heavy Atom Count: 34
• Complexity: 697

Purity/Quality:

98.5% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC(=CC=C1)NC2=C3C(=C(C=C2)NC4=CC=CC(=C4)C)C(=O)C5=C(C=CC(=C5C3=O)O)O