Boronic acid,B-[4-(diphenylamino)phenyl]- (201802-67-7)

The 4-(Diphenylamino)phenylboronic acid, with the cas registry number 201802-67-7, has the systematic name of boronic acid, B-[4-(diphenylamino)phenyl]-. It belongs to the following product categories: Blocks; BoronicAcids; B (Classes of Boron Compounds); Boronic Acids; Triphenylamine series; white crystal powder; Phenylamine Series; Aryl; Boronic Acids; Boronic Acids and Derivatives. And the molecular formula of the chemical is C₁₈H₁₆BNO₂.

The characteristics of this chemical are as followings: (1)ACD/LogP: 4.80; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 5; (4)ACD/LogD (pH 7.4): 5; (5)ACD/BCF (pH 5.5): 4509; (6)ACD/BCF (pH 7.4): 4300; (7)ACD/KOC (pH 5.5): 14358; (8)ACD/KOC (pH 7.4): 13692; (9)#H bond acceptors: 3; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 6; (12)Polar Surface Area: 43.7 Å²; (13)Index of Refraction: 1.665; (14)Molar Refractivity: 86.589 cm³; (15)Molar Volume: 233.176 cm³; (16)Polarizability: 34.327×10^-24cm³; (17)Surface Tension: 58.163 dyne/cm; (18)Density: 1.24 g/cm³; (19)Flash Point: 246.829 °C; (20)Enthalpy of Vaporization: 78.98 kJ/mol; (21)Boiling Point: 484.52 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25°C.  

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: OB(O)c1ccc(cc1)N(c2ccccc2)c3ccccc3
(2)InChI: InChI=1/C18H16BNO2/c21-19(22)15-11-13-18(14-12-15)20(16-7-3-1-4-8-16)17-9-5-2-6-10-17/h1-14,21-22H
(3)InChIKey: TWWQCBRELPOMER-UHFFFAOYAD