RefChem:77073

methyl sulfate;trimethyl-[3-[[4-(4-methylanilino)-9,10-dioxoanthracen-1-yl]amino]propyl]azanium

Also Known As: 1-Propanaminium, 3-((9,10-dihydro-4-((4-methylphenyl)amino)-9,10-dioxo-1-anthracenyl)amino)-N,N,N-trimethyl-, methyl sulfate|1-((4-Methylphenyl)amino)-4-((3-(trimethylammonium)propyl)amono)anthraquinone methyl sulfate|1-Propanaminium, 3-((9,10-dihydro-4-((4-methylphenyl)amino)-9,10-dioxo-1-anthracenyl)amino)-N,N,N-trimethyl-, methyl sulfate (1:1)|1-Propanaminium, 3-[[9,10-dihydro-4-[(4-methylphenyl)amino]-9,10-dioxo-1-anthracenyl]amino]-N,N,N-trimethyl-, methyl sulfate (1:1)|n,n,n-trimethyl-3-({4-[(4-methylphenyl)amino]-9,10-dioxo-9,10-dihydroanthracen-1-yl}amino)propan-1-aminium methyl sulfate|1-((4-Methylphenyl)amino)-4-((3-(trimethylammonium)propyl)amino)anthraquinone methyl sulfate|1-Propanaminium, 3-[[9,10-dihydro-4-[(4-methylphenyl)amino]-9,10-dioxo-1-anthracenyl]amino]-N,N,N-trimethyl-, methyl sulfate|3-((9,10-Dihydro-9,10-dioxo-4-((p-tolyl)amino)-1-anthryl)aminopropyl)trimethylammonium methyl sulphate|methyl sulfate; trimethyl-[3-[[4-(4-methylanilino)-9,10-dioxoanthracen-1-yl]amino]propyl]azanium|N,N,N-Trimethyl-3-{[4-(4-methylanilino)-9,10-dioxo-9,10-dihydroanthracen-1-yl]amino}propan-1-aminium methyl sulfate

Molecular Formula	C28H33N3O6S
Molecular Weight	539.209 g/mol
LogP	4.11522
Topological Polar Surface Area	133.0 Ų
Hydrogen Bond Donors	2
Hydrogen Bond Acceptors	8
Rotatable Bonds	7
Exact Mass	539.209
Monoisotopic Mass	539.209
Heavy Atoms	38
Complexity	755.0

Chemical Identifiers

CAS Number	94465-22-2
SMILES	CC1=CC=C(C=C1)NC2=C3C(=C(C=C2)NCCC[N+](C)(C)C)C(=O)C4=CC=CC=C4C3=O.COS(=O)(=O)[O-]
InChIKey	BFJXZOJYPWMIAI-UHFFFAOYSA-N