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Disperse Blue 291

CAS No.:
56548-64-2
Catalog Number:
AG00E8MW
Molecular Formula:
Molecular Weight:
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Product Description
Catalog Number:
AG00E8MW
Chemical Name:
Disperse Blue 291
CAS Number:
56548-64-2
MDL Number:
MFCD07363860
IUPAC Name:
N-[2-[(2-bromo-4,6-dinitrophenyl)diazenyl]-5-(diethylamino)-4-methoxyphenyl]acetamide
InChI:
InChI=1S/C19H21BrN6O6/c1-5-24(6-2)16-9-14(21-11(3)27)15(10-18(16)32-4)22-23-19-13(20)7-12(25(28)29)8-17(19)26(30)31/h7-10H,5-6H2,1-4H3,(H,21,27)
InChI Key:
QRKGKRSGMAWUMO-UHFFFAOYSA-N
Properties
Complexity:
697  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
508.071g/mol
Formal Charge:
0
Heavy Atom Count:
32  
Hydrogen Bond Acceptor Count:
9  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
509.317g/mol
Monoisotopic Mass:
508.071g/mol
Rotatable Bond Count:
7  
Topological Polar Surface Area:
158A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.1  
Literature
Title Journal
Genotoxic, mutagenic and cytotoxic effects of the commercial dye CI Disperse Blue 291 in the human hepatic cell line HepG2. Toxicology in vitro : an international journal published in association with BIBRA 20071201
Mutagenicity evaluation of the commercial product CI Disperse Blue 291 using different protocols of the Salmonella assay. Food and chemical toxicology : an international journal published for the British Industrial Biological Research Association 20050101
Properties