CAS No.61951-86-8,REACTIVE YELLOW 86 Suppliers

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Basic Information

Molecular Structure:
CAS No.:	61951-86-8
Name:	REACTIVE YELLOW 86

Formula:	C₁₈H₁₄Cl₂N₈Na₂O₉S₂
Molecular Weight:	667.37
Synonyms:	Disodium 4-[(2E)-2-(5-carbamoyl-1-ethyl-4-methyl-2,6-dioxo-pyridin-3-ylidene)hydrazinyl]-6-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]benzene-1,3-disulfonate;
EINECS:	274-956-4
PSA:	290.94000
LogP:	2.64780

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Specification

This chemical is called Procion yellow, and its systematic name is disodium 4-[(2Z)-2-(5-carbamoyl-1-ethyl-4-methyl-2,6-dioxo-1,6-dihydropyridin-3(2H)-ylidene)hydrazinyl]-6-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]benzene-1,3-disulfonate. With the molecular formula of C₁₈H₁₄Cl₂N₈Na₂O₉S₂, its CAS registry number is 61951-86-8. Additionally, its product categories are Affinity Chromatography; Dye Resins; Protein Chromatography. It should be stored at 2-8°C.

Other characteristics of the Procion yellow can be summarised as followings: (1)ACD/LogP: 2.17; (2)# of Rule of 5 Violations: 3; (3)ACD/LogD (pH 5.5): -2; (4)ACD/LogD (pH 7.4): -2; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 17; (10)#H bond donors: 6; (11)#Freely Rotating Bonds: 7; (12)Polar Surface Area: 240.7 Å².

You can still convert the following datas into molecular structure:
1.SMILES: [Na+].[Na+].O=C3C(=N/Nc2cc(Nc1nc(Cl)nc(Cl)n1)c(cc2S([O-])(=O)=O)S([O-])(=O)=O)\C(=C(/C(=O)N3CC)C(=O)N)C
2.InChI: InChI=1/C18H16Cl2N8O9S2.2Na/c1-3-28-14(30)11(13(21)29)6(2)12(15(28)31)27-26-8-4-7(22-18-24-16(19)23-17(20)25-18)9(38(32,33)34)5-10(8)39(35,36)37;;/h4-5,26H,3H2,1-2H3,(H2,21,29)(H,32,33,34)(H,35,36,37)(H,22,23,24,25);;/q;2*+1/p-2/b27-12-;;
3.InChIKey: JUNRGNKPIKIXLL-DZUSMITDBK