EINECS 269-391-5

azane;5-methyl-2-[[4-(4-methylanilino)-9,10-dioxoanthracen-1-yl]amino]benzenesulfonic acid

Also Known As: EINECS 269-391-5|1-(2-Sulfo-p-toluidino)-4-(p-toluidino)anthraquinone, ammonium salt|5-methyl-2-({4-[(4-methylphenyl)amino]-9,10-dioxo-9,10-dihydroanthracen-1-yl}amino)benzenesulfonic acid ammoniate(1:1)|Ammonium 4-((9,10-dihydro-9,10-dioxo-4-(p-tolyamino)-1-antryl)amino)toluene-3-sulphonate|azane; 5-methyl-2-[[4-(4-methylanilino)-9,10-dioxoanthracen-1-yl]amino]benzenesulfonic acid|Benzenesulfonic acid, 2-((9,10-dihydro-4-((4-methylphenyl)amino)-9,10-dioxo-1-anthracenyl)amino)-5-methyl-, ammonium salt (1:1)|Benzenesulfonic acid, 2-((9,10-dihydro-4-((4-methylphenyl)amino)-9,10-dioxo-1-anthracenyl)amino)-5-methyl-, monoammonium salt

Molecular Formula	C28H25N3O5S
Molecular Weight	515.1515 g/mol
LogP	5.97
Topological Polar Surface Area	147.57 Ų
Hydrogen Bond Donors	4
Hydrogen Bond Acceptors	7
Rotatable Bonds	5
Exact Mass	515.1515
Heavy Atoms	37
Complexity	1662.2

Chemical Identifiers

CAS Number	68227-79-2
SMILES	CC1=CC=C(C=C1)NC2=C3C(=C(C=C2)NC4=C(C=C(C=C4)C)S(=O)(=O)O)C(=O)C5=CC=CC=C5C3=O.N