12236-03-2 Purity
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Specification
The molecular formula of Disperse Violet 33 is C18H19N5O4.
The molecular weight of Disperse Violet 33 is 369.4 g/mol.
The IUPAC name of Disperse Violet 33 is 2-[[4-[bis(2-hydroxyethyl)amino]-2-methylphenyl]diazenyl]-5-nitrobenzonitrile.
The InChI of Disperse Violet 33 is InChI=1S/C18H19N5O4/c1-13-10-15(22(6-8-24)7-9-25)2-4-17(13)20-21-18-5-3-16(23(26)27)11-14(18)12-19/h2-5,10-11,24-25H,6-9H2,1H3.
The InChIKey of Disperse Violet 33 is SAEOXNIKTXFZNK-UHFFFAOYSA-N.
The canonical SMILES of Disperse Violet 33 is CC1=C(C=CC(=C1)N(CCO)CCO)N=NC2=C(C=C(C=C2)[N+](=O)[O-])C#N.
The CAS number of Disperse Violet 33 is 113202-90-7.
The EC number of Disperse Violet 33 is 235-460-3.
The XLogP3-AA value of Disperse Violet 33 is 2.4.
Yes, Disperse Violet 33 is a canonicalized compound.