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85283-80-3 | 3-((9,10-Dihydro-9,10-dioxo-4-((p-tolyl)amino)-1-anthryl)amino)propyltrimethylammonium dihydrogen phosphate
CAS No: 85283-80-3 Catalog No: AG004UYQ MDL No:
Product Description
Catalog Number:
AG004UYQ
Chemical Name:
3-((9,10-Dihydro-9,10-dioxo-4-((p-tolyl)amino)-1-anthryl)amino)propyltrimethylammonium dihydrogen phosphate
CAS Number:
85283-80-3
Molecular Formula:
C27H32N3O6P
Molecular Weight:
525.5332
IUPAC Name:
dihydrogen phosphate;trimethyl-[3-[[4-(4-methylanilino)-9,10-dioxoanthracen-1-yl]amino]propyl]azanium
InChI:
InChI=1S/C27H29N3O2.H3O4P/c1-18-10-12-19(13-11-18)29-23-15-14-22(28-16-7-17-30(2,3)4)24-25(23)27(32)21-9-6-5-8-20(21)26(24)31;1-5(2,3)4/h5-6,8-15H,7,16-17H2,1-4H3,(H-,28,29,31,32);(H3,1,2,3,4)
InChI Key:
YIQKPKIXSAFTCP-UHFFFAOYSA-N
SMILES:
[O-]P(=O)(O)O.Cc1ccc(cc1)Nc1ccc(c2c1C(=O)c1ccccc1C2=O)NCCC[N+](C)(C)C
EC Number:
286-607-3
Properties
Complexity:
714
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
525.203g/mol
Formal Charge:
0
Heavy Atom Count:
37
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
525.542g/mol
Monoisotopic Mass:
525.203g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
139A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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