13863-31-5
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 |
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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 |