6459-69-4 Purity
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Specification
The PubChem CID of Acid Blue 127 is 1338757.
The molecular formula of Acid Blue 127 is C19H24N2O5S.
The molecular weight of Acid Blue 127 is 392.5 g/mol.
The IUPAC name of Acid Blue 127 is 2-(2,5-dimethoxy-N-methylsulfonylanilino)-N-[(4-methylphenyl)methyl]acetamide.
The InChI of Acid Blue 127 is InChI=1S/C19H24N2O5S/c1-14-5-7-15(8-6-14)12-20-19(22)13-21(27(4,23)24)17-11-16(25-2)9-10-18(17)26-3/h5-11H,12-13H2,1-4H3,(H,20,22).
The InChIKey of Acid Blue 127 is HUJVUMPYHGYXDS-UHFFFAOYSA-N.
The canonical SMILES of Acid Blue 127 is CC1=CC=C(C=C1)CNC(=O)CN(C2=C(C=CC(=C2)OC)OC)S(=O)(=O)C.
The CAS number of Acid Blue 127 is 6471-01-8.
The hydrogen bond donor count of Acid Blue 127 is 1.
Yes, Acid Blue 127 is a canonicalized compound according to PubChem.
The XLogP3-AA value of Acid Blue 127 is 2.2.
Acid Blue 127 has 1 hydrogen bond donor count.
Acid Blue 127 has 6 hydrogen bond acceptor counts.