Name: 1,4-Bis(3-aminophenoxy)benzene
SKU: 59326-56-6

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Basic Information

Molecular Structure:
CAS No.:	59326-56-6
Name:	1,4-Bis(3-aminophenoxy)benzene
Article Data:	4

Formula:	C₁₈H₁₆N₂O₂
Molecular Weight:	292.337
Synonyms:	1,4-Bis(3-aminophenoxy)benzene;3,3'-[Benzene-1,4-diylbis(oxy)]dianiline;
Density:	1.243 g/cm³
Melting Point:	97℃
Boiling Point:	476.2 °C at 760 mmHg
Flash Point:	261.7 °C
PSA:	70.50000
LogP:	5.59800

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Specification

The Benzenamine,3,3'-[1,4-phenylenebis(oxy)]bis-, with the CAS registry number 59326-56-6, is also known as 1,4-Bis(3-aminophenoxy)benzene. This chemical's molecular formula is C₁₈H₁₆N₂O₂ and molecular weight is 292.33. What's more, its systematic name is 3,3'-[benzene-1,4-diylbis(oxy)]dianiline.

Physical properties of Benzenamine,3,3'-[1,4-phenylenebis(oxy)]bis- are: (1)ACD/LogP: 3.14; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.11; (4)ACD/LogD (pH 7.4): 3.14; (5)ACD/BCF (pH 5.5): 133.12; (6)ACD/BCF (pH 7.4): 142.08; (7)ACD/KOC (pH 5.5): 1132.37; (8)ACD/KOC (pH 7.4): 1208.6; (9)#H bond acceptors: 4; (10)#H bond donors: 4; (11)#Freely Rotating Bonds: 6; (12)Polar Surface Area: 70.5 Å²; (13)Index of Refraction: 1.667; (14)Molar Refractivity: 87.61 cm³; (15)Molar Volume: 235.1 cm³; (16)Polarizability: 34.73×10^-24cm³; (17)Surface Tension: 55.2 dyne/cm; (18)Density: 1.243 g/cm³; (19)Flash Point: 261.7 °C; (20)Enthalpy of Vaporization: 73.99 kJ/mol; (21)Boiling Point: 476.2 °C at 760 mmHg; (22)Vapour Pressure: 3.11E-09 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: Nc1cccc(c1)Oc2ccc(cc2)Oc3cccc(N)c3
(2)InChI: InChI=1S/C18H16N2O2/c19-13-3-1-5-17(11-13)21-15-7-9-16(10-8-15)22-18-6-2-4-14(20)12-18/h1-12H,19-20H2
(3)InChIKey: LBPVOEHZEWAJKQ-UHFFFAOYSA-N