RefChem:77072

3-[(4-amino-3-bromo-9,10-dioxoanthracen-1-yl)amino]propyl-trimethylazanium;methyl sulfate

Also Known As: 3-[amino]propyltrimethylammoniummethylsulphate|3-[ amino]propyltrimethylammoniummethylsulphate|(3-((4-Amino-3-bromo-1-anthraquinonyl)amino)propyl)trimethylammonium methyl sulfate|1-Propanaminium, 3-((4-amino-3-bromo-9,10-dihydro-9,10-dioxo-1-anthracenyl)amino)-N,N,N-trimethyl-, methyl sulfate|1-Propanaminium, 3-((4-amino-3-bromo-9,10-dihydro-9,10-dioxo-1-anthracenyl)amino)-N,N,N-trimethyl-, methyl sulfate (1:1)|3-[(4-amino-3-bromo-9,10-dioxo-9,10-dihydroanthracen-1-yl)amino]-n,n,n-trimethylpropan-1-aminium methyl sulfate|1-Propanaminium, 3-[(4-amino-3-bromo-9,10-dihydro-9,10-dioxo-1-anthracenyl)amino]-N,N,N-trimethyl-, methyl sulfate|1-Propanaminium, 3-[(4-amino-3-bromo-9,10-dihydro-9,10-dioxo-1-anthracenyl)amino]-N,N,N-trimethyl-, methyl sulfate (1:1)|3-[(4-amino-3-bromo-9,10-dihydro-9,10-dioxo-1-anthryl)amino]propyltrimethylammonium methyl sulphate|3-[(4-amino-3-bromo-9,10-dioxoanthracen-1-yl)amino]propyl-trimethylazanium; methyl sulfate|1-Propanaminium, 3-[(4-amino-3-bromo-9,10- dihydro-9,10-dioxo-1-anthracenyl)amino]-N,N,N-trimethyl -, methyl sulfate|3-((4-Amino-3-bromo-9,10-dihydro-9,10-dioxo-1-anthryl)amino)propyltrimethylammonium methyl sulphate

Molecular Formula	C21H26BrN3O6S
Molecular Weight	527.0726 g/mol
LogP	2.4079
Topological Polar Surface Area	147.0 Ų
Hydrogen Bond Donors	2
Hydrogen Bond Acceptors	8
Rotatable Bonds	5
Exact Mass	527.0726
Monoisotopic Mass	527.0726
Heavy Atoms	32
Complexity	638.0

Chemical Identifiers

CAS Number	93085-73-5
SMILES	C[N+](C)(C)CCCNC1=CC(=C(C2=C1C(=O)C3=CC=CC=C3C2=O)N)Br.COS(=O)(=O)[O-]
InChIKey	BCNZBZUJWPWUFE-UHFFFAOYSA-N