CAS No.654067-65-9,[4-[bis(4-methylphenyl)amino]phenyl]Boronic acid Suppliers

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Basic Information

Molecular Structure:
CAS No.:	654067-65-9
Name:	[4-[bis(4-methylphenyl)amino]phenyl]Boronic acid
Article Data:	4

Formula:	C₂₀H₂₀BNO₂
Molecular Weight:	317.195
Synonyms:	Boronic acid, [4-[bis(4-methylphenyl)amino]phenyl]-(9CI);[4-[Bis(4-methylphenyl)amino]phenyl] boronic acid;
Density:	1.19 g/cm³
Boiling Point:	525.5 °C at 760 mmHg
Flash Point:	271.6 °C
PSA:	43.70000
LogP:	3.45300

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Specification

This chemical is called B-[4-[Bis(4-methylphenyl)amino]phenyl]boronic acid, and its systematic name is {4-[bis(4-methylphenyl)amino]phenyl}boronic acid. With the molecular formula of C₂₀H₂₀BNO₂, its molecular weight is 317.19. The CAS registry number of this chemical is 654067-65-9.

Other characteristics of the B-[4-[Bis(4-methylphenyl)amino]phenyl]boronic acid can be summarised as followings: (1)ACD/LogP: 6.03; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 6.03; (4)ACD/LogD (pH 7.4): 6.01; (5)ACD/BCF (pH 5.5): 22560.1; (6)ACD/BCF (pH 7.4): 21309.69; (7)ACD/KOC (pH 5.5): 45458.46; (8)ACD/KOC (pH 7.4): 42938.88; (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: 1.644; (14)Molar Refractivity: 95.83 cm³; (15)Molar Volume: 264.6 cm³; (16)Polarizability: 37.99×10^-24cm³; (17)Surface Tension: 54.9 dyne/cm; (18)Density: 1.19 g/cm³; (19)Flash Point: 271.6 °C; (20)Enthalpy of Vaporization: 84.18 kJ/mol; (21)Boiling Point: 525.5 °C at 760 mmHg; (22)Vapour Pressure: 7.15E-12 mmHg at 25°C.

You can still convert the following datas into molecular structure:
1.SMILES: OB(O)c1ccc(cc1)N(c2ccc(C)cc2)c3ccc(C)cc3
2.InChI: InChI=1/C20H20BNO2/c1-15-3-9-18(10-4-15)22(19-11-5-16(2)6-12-19)20-13-7-17(8-14-20)21(23)24/h3-14,23-24H,1-2H3
3.InChIKey: XDARIDUNZZQZBQ-UHFFFAOYAA
4.Std. InChI: InChI=1S/C20H20BNO2/c1-15-3-9-18(10-4-15)22(19-11-5-16(2)6-12-19)20-13-7-17(8-14-20)21(23)24/h3-14,23-24H,1-2H3
5.Std. InChIKey: XDARIDUNZZQZBQ-UHFFFAOYSA-N