91314-18-0 Purity
99 atom % D
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Specification
The molecular formula of 5-Amino-2-(p-toluidino)benzenesulfonic acid is C13H14N2O3S.
The molecular weight of 5-Amino-2-(p-toluidino)benzenesulfonic acid is 278.33 g/mol.
The IUPAC name of 5-Amino-2-(p-toluidino)benzenesulfonic acid is 5-amino-2-(4-methylanilino)benzenesulfonic acid.
The InChI of 5-Amino-2-(p-toluidino)benzenesulfonic acid is InChI=1S/C13H14N2O3S/c1-9-2-5-11(6-3-9)15-12-7-4-10(14)8-13(12)19(16,17)18/h2-8,15H,14H2,1H3,(H,16,17,18).
The InChIKey of 5-Amino-2-(p-toluidino)benzenesulfonic acid is SFRJKPJFXZQVIA-UHFFFAOYSA-N.
The canonical SMILES of 5-Amino-2-(p-toluidino)benzenesulfonic acid is CC1=CC=C(C=C1)NC2=C(C=C(C=C2)N)S(=O)(=O)O.
The CAS number of 5-Amino-2-(p-toluidino)benzenesulfonic acid is 91-31-6.
5-Amino-2-(p-toluidino)benzenesulfonic acid has 3 hydrogen bond donor counts.
5-Amino-2-(p-toluidino)benzenesulfonic acid has 3 Rotatable Bond Count.