4.4'-DIAMINODIPHENYLAMINESULFATE

The 4,4-Diaminodiphenylamine sulphate, with the CAS registry number 6369-04-6, is also known as 1,4-benzenediamine, N1-(4-aminophenyl)-, sulfate (1:1). Its molecular formula is C₁₂H₁₅N₃O₄S and its systematic name is N-(4-aminophenyl)benzene-1,4-diamine sulfate (1:1). Additionally, its product categories are Azoic Dyes; Dye; Chromophore. It's incompatible with strong oxidizing agents and mainly used for dyeing and printing of cotton fabrics and viscose fiber. It's also used as dye intermediates.

Other characteristics of the 4,4-Diaminodiphenylamine sulphate can be summarised as followings: (1)ACD/LogP: -0.40; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): -0.87; (4)ACD/LogD (pH 7.4): -0.4; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 4.89; (8)ACD/KOC (pH 7.4): 14.2; (9)#H bond acceptors: 3; (10)#H bond donors: 5; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 9.72 Å²; (13)Flash Point: 239.2 °C; (14)Enthalpy of Vaporization: 66.31 kJ/mol; (15)Boiling Point: 410.7 °C at 760 mmHg; (16)Vapour Pressure: 5.89E-07 mmHg at 25°C.

Synthesis of 4,4-Diaminodiphenylamine sulphate: It could be obtained by the materials of nitrochlorobenzene o-amino acid and acetanilide. First step, make the nitrochlorobenzene o-sulfonic acid into sodium. After condensation with p-amino acetanilide, please use the iron to reduce. Second step, adding sodium carbonate with sulfuric acid, after hydrolysis, salt formation, filtration and drying, you can get the product.

You can still convert the following datas into molecular structure: 
1.SMILES: O=S(=O)(O)O.c2c(Nc1ccc(cc1)N)ccc(N)c2
2.InChI: InChI=1/C12H13N3.H2O4S/c13-9-1-5-11(6-2-9)15-12-7-3-10(14)4-8-12;1-5(2,3)4/h1-8,15H,13-14H2;(H2,1,2,3,4)
3.InChIKey: OOZQLPDAELLDNY-UHFFFAOYAL