3056-93-7 Purity
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Specification
The molecular formula of Basic Yellow 28 is C21H27N3O5S.
The molecular weight of Basic Yellow 28 is 433.5 g/mol.
The IUPAC name of Basic Yellow 28 is 4-methoxy-N-methyl-N-[(E)-(1,3,3-trimethylindol-1-ium-2-yl)methylideneamino]aniline;methyl sulfate.
The InChIKey of Basic Yellow 28 is SPWPAFQLIZTXFN-UHFFFAOYSA-M.
The canonical SMILES representation of Basic Yellow 28 is CC1(C2=CC=CC=C2[N+](=C1C=NN(C)C3=CC=C(C=C3)OC)C)C.COS(=O)(=O)[O-].
The CAS number of Basic Yellow 28 is 54060-92-3.
Basic Yellow 28 has 0 hydrogen bond donor counts.
Basic Yellow 28 has 7 hydrogen bond acceptor counts.
Basic Yellow 28 has 4 rotatable bond counts.
The topological polar surface area of Basic Yellow 28 is 103 ?2.
The InChI of Basic Yellow 28 is InChI=1S/C20H24N3O.CH4O4S/c1-20(2)17-8-6-7-9-18(17)22(3)19(20)14-21-23(4)15-10-12-16(24-5)13-11-15;1-5-6(2,3)4/h6-14H,1-5H3;1H3,(H,2,3,4)/q+1;/p-1.
The canonical SMILES of Basic Yellow 28 is CC1(C2=CC=CC=C2[N+](=C1C=NN(C)C3=CC=C(C=C3)OC)C)C.COS(=O)(=O)[O-].
The hydrogen bond donor count of Basic Yellow 28 is 0.
The hydrogen bond acceptor count of Basic Yellow 28 is 7.
The rotatable bond count of Basic Yellow 28 is 4.