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38869-82-8

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Basic Information
CAS No.: 38869-82-8
Name: 2,5-Dibenzoyl-1,4-phenylenediamine
Molecular Structure:
Molecular Structure of 38869-82-8 (2,5-Dibenzoyl-1,4-phenylenediamine)
Formula: C20H16N2O2
Molecular Weight: 316.359
Synonyms: 1,1'-(2,5-Diamino-1,4-phenylene)bis[1-phenyl-Methanone;(2,5-Diamino-4-benzoyl-phenyl)-phenyl-methanone;
Density: 1.264 g/cm3
Boiling Point: 592.8 °C at 760 mmHg
Flash Point: 312.3 °C
PSA: 86.18000
LogP: 4.47540
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Specification

The 2,5-Dibenzoyl-1,4-phenylenediamine, with the CAS registry number 38869-82-8, is also known as 1,1'-(2,5-Diamino-1,4-phenylene)bis[1-phenyl-Methanone. This chemical's molecular formula is C20H16N2O2 and molecular weight is 316.35. What's more, its systematic name is (2,5-diamino-4-benzoyl-phenyl)-phenyl-methanone.

Physical properties of 2,5-Dibenzoyl-1,4-phenylenediamine are: (1)ACD/LogP: 4.17; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4.17; (4)ACD/LogD (pH 7.4): 4.17; (5)ACD/BCF (pH 5.5): 867.35; (6)ACD/BCF (pH 7.4): 867.39; (7)ACD/KOC (pH 5.5): 4413.19; (8)ACD/KOC (pH 7.4): 4413.39; (9)#H bond acceptors: 4; (10)#H bond donors: 4; (11)#Freely Rotating Bonds: 6; (12)Polar Surface Area: 86.18 Å2; (13)Index of Refraction: 1.677; (14)Molar Refractivity: 94.31 cm3; (15)Molar Volume: 250.2 cm3; (16)Polarizability: 37.38×10-24cm3; (17)Surface Tension: 60.6 dyne/cm; (18)Density: 1.264 g/cm3; (19)Flash Point: 312.3 °C; (20)Enthalpy of Vaporization: 88.39 kJ/mol; (21)Boiling Point: 592.8 °C at 760 mmHg; (22)Vapour Pressure: 5.05E-14 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: c1ccc(cc1)C(=O)c2cc(c(cc2N)C(=O)c3ccccc3)N
(2)InChI: InChI=1S/C20H16N2O2/c21-17-12-16(20(24)14-9-5-2-6-10-14)18(22)11-15(17)19(23)13-7-3-1-4-8-13/h1-12H,21-22H2
(3)InChIKey: KHEYSIXPWQEYOU-UHFFFAOYSA-N