CAS No.63948-92-5,4,4-BIS(3-AMINOPHENOXY)BENZOPHENONE(3BABP) Suppliers

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Basic Information

Molecular Structure:
CAS No.:	63948-92-5
Name:	4,4-BIS(3-AMINOPHENOXY)BENZOPHENONE(3BABP)
Article Data:	3

Formula:	C₂₅H₂₀N₂O₃
Molecular Weight:	396.445
Synonyms:	4,4'-Bis(3-aminophenoxy)benzophenone;Bis[4-(3-aminophenoxy)phenyl] ketone;
EINECS:	1312995-182-4
Density:	1.265 g/cm³
Melting Point:	138-140 °C(Solv: ethanol (64-17-5))
Boiling Point:	606 °C at 760 mmHg
Flash Point:	241.1 °C
PSA:	87.57000
LogP:	6.18490

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Specification

The systematic name of 4,4'-Bis(3-aminophenoxy)benzophenone is bis[4-(3-aminophenoxy)phenyl]methanone. With the CAS registry number 63948-92-5, it is also named as Methanone,bis[4-(3-aminophenoxy)phenyl]-. In addition, its molecular formula is C₂₅H₂₀N₂O₃ and molecular weight is 396.44.

The other characteristics of 4,4'-Bis(3-aminophenoxy)benzophenone can be summarized as: (1)ACD/LogP: 4.51; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4.5; (4)ACD/LogD (pH 7.4): 4.51; (5)ACD/BCF (pH 5.5): 1521.65; (6)ACD/BCF (pH 7.4): 1583.91; (7)ACD/KOC (pH 5.5): 6523.58; (8)ACD/KOC (pH 7.4): 6790.49; (9)#H bond acceptors: 5; (10)#H bond donors: 4; (11)#Freely Rotating Bonds: 8; (12)Polar Surface Area: 87.57 Å²; (13)Index of Refraction: 1.672; (14)Molar Refractivity: 117.4 cm³; (15)Molar Volume: 313.2 cm³; (16)Polarizability: 46.54×10^-24cm³; (17)Surface Tension: 57 dyne/cm; (18)Density: 1.265 g/cm³; (19)Flash Point: 241.1 °C; (20)Enthalpy of Vaporization: 90.09 kJ/mol; (21)Boiling Point: 606 °C at 760 mmHg; (22)Vapour Pressure: 1.23E-14 mmHg at 25 °C.

People can use the following data to convert to the molecule structure.
(1)SMILES: Nc1cccc(c1)Oc2ccc(cc2)C(=O)c3ccc(cc3)Oc4cccc(N)c4
(2)InChI: InChI=1/C25H20N2O3/c26-19-3-1-5-23(15-19)29-21-11-7-17(8-12-21)25(28)18-9-13-22(14-10-18)30-24-6-2-4-20(27)16-24/h1-16H,26-27H2
(3)InChIKey: BBRLKRNNIMVXOD-UHFFFAOYAT
(4)Std. InChI: InChI=1S/C25H20N2O3/c26-19-3-1-5-23(15-19)29-21-11-7-17(8-12-21)25(28)18-9-13-22(14-10-18)30-24-6-2-4-20(27)16-24/h1-16H,26-27H2
(5)Std. InChIKey: BBRLKRNNIMVXOD-UHFFFAOYSA-N