4,4'-(1,4-Butanediyl)dioxydianiline

The 4,4'-(1,4-Butanediyl)dioxydianiline, with the CAS registry number 6245-50-7, is also known as Benzenamine, 4,4'-(1,4-butanediylbis(oxy))bis-. Its molecular formula is C₁₆H₂₀N₂O₂ and its molecular weight is 272.3422. Moreover, its systematic name is 4,4'-[butane-1,4-diylbis(oxy)]dianiline.

Other characteristics of the 4,4'-(1,4-Butanediyl)dioxydianiline can be summarised as followings: (1)ACD/LogP: 1.92; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.56; (4)ACD/LogD (pH 7.4): 1.91; (5)ACD/BCF (pH 5.5): 7.45; (6)ACD/BCF (pH 7.4): 16.69; (7)ACD/KOC (pH 5.5): 116.1; (8)ACD/KOC (pH 7.4): 260.05; (9)#H bond acceptors: 4; (10)#H bond donors: 4; (11)#Freely Rotating Bonds: 9; (12)Polar Surface Area: 24.94 Å²; (13)Index of Refraction: 1.607; (14)Molar Refractivity: 81.55 cm³; (15)Molar Volume: 235.9 cm³; (16)Polarizability: 32.32×10^-24cm³; (17)Surface Tension: 49.8 dyne/cm; (18)Density: 1.154 g/cm³; (19)Flash Point: 284.4 °C; (20)Enthalpy of Vaporization: 77.1 kJ/mol; (21)Boiling Point: 502 °C at 760 mmHg; (22)Vapour Pressure: 3.3E-10 mmHg at 25°C.

Production method of the 4,4'-(1,4-Butanediyl)dioxydianiline: It could be obtained by the reactant of 1,4-bis-(4-nitro-phenoxy)-butane. This reaction needs the reagent of H₂, and the catalyst of Pd/C. The yield is 78 %.

Uses of the 4,4'-(1,4-Butanediyl)dioxydianiline: It could react with thiourea to obtain the 1,3-di(dithiourea-4-phenoxy)-butane. This reaction needs the condition heating. The yield is 55 %.

 

You can still convert the following datas into molecular structure: 
1.SMILES: O(c1ccc(cc1)N)CCCCOc2ccc(N)cc2
2.InChI: InChI=1/C16H20N2O2/c17-13-3-7-15(8-4-13)19-11-1-2-12-20-16-9-5-14(18)6-10-16/h3-10H,1-2,11-12,17-18H2 
3.InChIKey: LAFZPVANKKJENB-UHFFFAOYAC