51811-42-8 Purity
---
If you have any other questions or need other size, please get a quote.
Specification
The molecular formula of Disperse Blue 291 is C19H21BrN6O6.
The molecular weight of Disperse Blue 291 is 509.3 g/mol.
The IUPAC name of Disperse Blue 291 is N-[2-[(2-bromo-4,6-dinitrophenyl)diazenyl]-5-(diethylamino)-4-methoxyphenyl]acetamide.
The InChI of Disperse Blue 291 is InChI=1S/C19H21BrN6O6/c1-5-24(6-2)16-9-14(21-11(3)27)15(10-18(16)32-4)22-23-19-13(20)7-12(25(28)29)8-17(19)26(30)31/h7-10H,5-6H2,1-4H3,(H,21,27).
The InChIKey of Disperse Blue 291 is QRKGKRSGMAWUMO-UHFFFAOYSA-N.
The canonical SMILES of Disperse Blue 291 is CCN(CC)C1=C(C=C(C(=C1)NC(=O)C)N=NC2=C(C=C(C=C2Br)[N+](=O)[O-])[N+](=O)[O-])OC.
The CAS number of Disperse Blue 291 is 56548-64-2.
The hydrogen bond donor count of Disperse Blue 291 is 1.
The hydrogen bond acceptor count of Disperse Blue 291 is 9.
The topological polar surface area of Disperse Blue 291 is 158 ?2.