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13863-31-5

13863-31-5 structural image
Product Name: disodium 4,4'-bis[[6-anilino-4-[(2-hydroxyethyl)methylamino]-1,3,5-triazin-2-yl]amino]stilbene-2,2'-disulphonate
Formula: C38H38N12Na2O8S2
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CHEMICAL AND PHYSICAL PROPERTIES

Physical Description Other Solid
Decomposition When heated to decomposition it emits toxic fumes of nitrous oxides and sulfoxides.
Dissociation Constants log Kow = 1.20
Chemical Classes Dyes -> Carbocyanine Dyes

COMPUTED DESCRIPTORS

Molecular Weight 900.9 g/mol
Hydrogen Bond Donor Count 6
Hydrogen Bond Acceptor Count 20
Rotatable Bond Count 16
Exact Mass 900.21723713 g/mol
Monoisotopic Mass 900.21723713 g/mol
Topological Polar Surface Area 304 Ų
Heavy Atom Count 62
Formal Charge 0
Complexity 1410
Isotope Atom Count 0
Defined Atom Stereocenter Count 0
Undefined Atom Stereocenter Count 0
Defined Bond Stereocenter Count 1
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 3
Compound Is Canonicalized Yes