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Benzenamine,4,4'-[[1,1'-biphenyl]-2,5-diylbis(oxy)]bis- (94148-67-1)

Identification
Name:Benzenamine,4,4'-[[1,1'-biphenyl]-2,5-diylbis(oxy)]bis-
Synonyms:2,5-Bis(4-aminophenoxy)biphenyl;4,4'-[(2-Phenyl-p-phenylene)dioxy]dianiline;
CAS:94148-67-1
Molecular Formula: C24H20N2O2
Molecular Weight: 368.43
InChI: InChI=1/C24H20N2O2/c25-18-6-10-20(11-7-18)27-22-14-15-24(28-21-12-8-19(26)9-13-21)23(16-22)17-4-2-1-3-5-17/h1-16H,25-26H2
Molecular Structure: (C24H20N2O2) 2,5-Bis(4-aminophenoxy)biphenyl;4,4'-[(2-Phenyl-p-phenylene)dioxy]dianiline;
Properties
Density:1.226 g/cm3
Refractive index:1.669
Appearance:Beige cream
Specification:

The 1,4-Bis(4-aminophenoxy)-2-phenylbenzene is an organic compound with the formula C24H20N2O2. The IUPAC name of this product is 4-[4-(4-aminophenoxy)-3-phenylphenoxy]aniline . With the CAS registry number 94148-67-1, it is also named as Benzenamine, 4,4'-((1,1'-biphenyl)-2,5-diylbis(oxy))bis- ; 4,4'-[Biphenyl-2,5-diylbis(oxy)]dianiline . 

The classification codes are TSCA Flag P [A commenced PMN (Premanufacture Notice) substance] and TSCA Flag S [Substance is identified in a proposed or final SNUR (Significant New Use Rule) under TSCA]. This product is beige cream which can be used as pharmaceutical intermediate.

The other characteristics of this product can be summarized as: (1)ACD/LogP: 4.41 ; (2)# of Rule of 5 Violations: 0 ; (3)ACD/LogD (pH 5.5): 4.22 ; (4)ACD/LogD (pH 7.4): 4.41 ; (5)ACD/BCF (pH 5.5): 863.35 ; (6)ACD/BCF (pH 7.4): 1315.26 ; (7)ACD/KOC (pH 5.5): 3895.87 ; (8)ACD/KOC (pH 7.4): 5935.07 ; (9)#H bond acceptors: 4 ; (10)#H bond donors: 4 ; (11)#Freely Rotating Bonds: 7 ; (12)Index of Refraction: 1.669 ; (13)Molar Refractivity: 112.2 cm3 ; (14)Molar Volume: 300.4 cm3 ; (15)Polarizability: 44.48×10-24 cm3 ; (16)Surface Tension: 54 dyne/cm ; (17)Enthalpy of Vaporization: 85.2 kJ/mol ; (18)Vapour Pressure: 6.7E-13 mmHg at 25°C ; (19)Rotatable Bond Count: 5 ; (20)Exact Mass: 368.152478 ; (21)MonoIsotopic Mass: 368.152478 ; (22)Topological Polar Surface Area: 70.5 ; (23)Heavy Atom Count: 28.

People can use the following data to convert to the molecule structure. SMILES: O(c1ccc(N)cc1)c4ccc(Oc2ccc(N)cc2)cc4c3ccccc3; InChI: InChI=1/C24H20N2O2/c25-18-6-10-20(11-7-18)27-22-14-15-24(28-21-12-8-19(26)9-13-21)23(16-22)17-4-2-1-3-5-17/h1-16H,25-26H2. 1,4-Bis(4-aminophenoxy)-2-phenylbenzene has many suppliers, such as Changzhou Sunlight Pharmaceutical Co., Ltd.. The price of this product changes with the market.

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