10114-58-6 Purity
technical
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The molecular formula of Basic Yellow 87 is C15H19N3O4S.
The molecular weight of Basic Yellow 87 is 337.4 g/mol.
The IUPAC name of Basic Yellow 87 is N-methyl-N-[(E)-(1-methylpyridin-1-ium-4-yl)methylideneamino]aniline;methyl sulfate.
The InChI of Basic Yellow 87 is InChI=1S/C14H16N3.CH4O4S/c1-16-10-8-13(9-11-16)12-15-17(2)14-6-4-3-5-7-14;1-5-6(2,3)4/h3-12H,1-2H3;1H3,(H,2,3,4)/q+1;/p-1.
The InChIKey of Basic Yellow 87 is LLLILZLFKGJCCV-UHFFFAOYSA-M.
The canonical SMILES of Basic Yellow 87 is C[N+](=CC=C1)C=C(C=C1)/C=N/N(C)C2=CC=CC=C2.COS(=O)(=O)[O-].
Basic Yellow 87 has 0 hydrogen bond donor counts.
Basic Yellow 87 has 6 hydrogen bond acceptor counts.
Basic Yellow 87 has 3 rotatable bond counts.
The topological polar surface area of Basic Yellow 87 is 94.3 ?2.
The synonyms for Basic Yellow 87 include Maxilon yellow 4GL, 224I63D8K4, and N-methyl-N-[(E)-(1-methylpyridin-1-ium-4-yl)methylideneamino]aniline;methyl sulfate.
The parent compound of Basic Yellow 87 is CID 9576504 (1-Methyl-4-[(E)-(2-methyl-2-phenylhydrazinylidene)methyl]pyridin-1-ium).
The component compounds of Basic Yellow 87 are CID 6412 (Methyl sulfate) and CID 9576504 (1-Methyl-4-[(E)-(2-methyl-2-phenylhydrazinylidene)methyl]pyridin-1-ium).
The CAS number of Basic Yellow 87 is 68259-00-7.
The hydrogen bond donor count of Basic Yellow 87 is 0.
The complexity of Basic Yellow 87 is 329.
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