477-73-6 Purity
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Specification
The molecular formula of Basic Red 22 is C13H20N6O4S.
The molecular weight of Basic Red 22 is 356.40 g/mol.
The IUPAC Name of Basic Red 22 is 4-[(2,4-dimethyl-1,2,4-triazol-4-ium-3-yl)diazenyl]-N,N-dimethylaniline;methyl sulfate.
The InChIKey of Basic Red 22 is ZRVPOURSNDQODC-UHFFFAOYSA-M.
The Canonical SMILES of Basic Red 22 is CN1C(=[N+](C=N1)C)N=NC2=CC=C(C=C2)N(C)C.COS(=O)(=O)[O-].
The CAS number of Basic Red 22 is 23354-43-0.
The hydrogen bond donor count of Basic Red 22 is 0.
The hydrogen bond acceptor count of Basic Red 22 is 8.
The rotatable bond count of Basic Red 22 is 3.
The topological polar surface area of Basic Red 22 is 125?2.
The InChI of Basic Red 22 is InChI=1S/C12H17N6.CH4O4S/c1-16(2)11-7-5-10(6-8-11)14-15-12-17(3)9-13-18(12)4;1-5-6(2,3)4/h5-9H,1-4H3;1H3,(H,2,3,4)/q+1;/p-1.