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6-Amino-5-({3-[ethyl(phenyl)sulfamoyl]-4-methylphenyl}diazenyl)-4-hydroxy-2-naphthalenesulfonic acid

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Name

6-Amino-5-({3-[ethyl(phenyl)sulfamoyl]-4-methylphenyl}diazenyl)-4-hydroxy-2-naphthalenesulfonic acid

EINECS 280-149-8
CAS No. 83027-46-7 Density 1.458 g/cm3
PSA N/A LogP N/A
Solubility N/A Melting Point N/A
Formula C25H24N4O6S2 Boiling Point N/A
Molecular Weight 540.61 Flash Point N/A
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 83027-46-7 (6-amino-5-[[3-[(ethylphenylamino)sulphonyl]-4-methylphenyl]azo]-4-hydroxynaphthalene-2-sulphonic acid) Hazard Symbols N/A
Synonyms

2-Naphthalenesulfonic acid, 6-amino-5-((3-((ethylphenylamino)sulfonyl)-4-methylphenyl)azo)-4-hydroxy-;5-[2-[3-[(2-ethylphenyl)sulfamoyl]-4-methyl-phenyl]hydrazinyl]-6-imino-4-oxo-naphthalene-2-sulfonic acid;6-Amino-5-((3-((ethylphenylamino)sulphonyl)-4-methylphenyl)azo)-4-hydroxynaphthalene-2-sulphonic acid;Suminol Fast Red G;

 

6-Amino-5-({3-[ethyl(phenyl)sulfamoyl]-4-methylphenyl}diazenyl)-4-hydroxy-2-naphthalenesulfonic acid Specification

6-Amino-5-({3-[ethyl(phenyl)sulfamoyl]-4-methylphenyl}diazenyl)-4-hydroxy-2-naphthalenesulfonic acid is an organic compound with the formula C25H24N4O6S2, and its systematic name is the same with the product name. With the CAS registry number 83027-46-7, it is also named as 2-Naphthalenesulfonic acid, 6-amino-5-((3-((ethylphenylamino)sulfonyl)-4-methylphenyl)azo)-4-hydroxy-. It belongs to the product category of Organics. Its EINECS number is 280-149-8. In addition, the molecular weight is 540.61. 

Physical properties of 6-Amino-5-({3-[ethyl(phenyl)sulfamoyl]-4-methylphenyl}diazenyl)-4-hydroxy-2-naphthalenesulfonic acid are: (1)ACD/LogP: 1.181; (2)# of Rule of 5 Violations: 2; (3)ACD/LogD (pH 5.5): -2.31; (4)ACD/LogD (pH 7.4): -2.39; (5)ACD/BCF (pH 5.5): 1.00; (6)ACD/BCF (pH 7.4): 1.00; (7)ACD/KOC (pH 5.5): 1.00; (8)ACD/KOC (pH 7.4): 1.00; (9)#H bond acceptors: 10; (10)#H bond donors: 4; (11)#Freely Rotating Bonds: 9; (12)Polar Surface Area: 179.48 Å2; (13)Index of Refraction: 1.681; (14)Molar Refractivity: 140.389 cm3; (15)Molar Volume: 370.8 cm3; (16)Polarizability: 55.654×10-24cm3; (17)Surface Tension: 61.84 dyne/cm; (18)Density: 1.458 g/cm3.

You can still convert the following datas into molecular structure:
(1)SMILES: CCN(c1ccccc1)S(=O)(=O)c2cc(ccc2C)N=Nc3c(N)ccc4cc(cc(O)c34)S(O)(=O)=O
(2)Std. InChI: InChI=1S/C25H24N4O6S2/c1-3-29(19-7-5-4-6-8-19)36(31,32)23-14-18(11-9-16(23)2)27-28-25-21(26)12-10-17-13-20(37(33,34)35)15-22(30)24(17)25/h4-15,30H,3,26H2,1-2H3,(H,33,34,35)
(3)Std. InChIKey: JQNSWTWZESAPPA-UHFFFAOYSA-N 

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