1.Introduction of [1,1'-Biphenyl]-4-amine,N-phenyl-
The [1,1'-Biphenyl]-4-amine,N-phenyl-, with the CAS registry number 32228-99-2, is also known as Benzenamine, N-[1,1'-biphenyl]-4-yl-. This chemical's molecular formula is C18H15N and molecular weight is 245.32. Its systematic name is called N,4-diphenylaniline. The product should be sealed and stored in cool, dry and well-ventilated place.
2. Physical properties of [1,1'-Biphenyl]-4-amine,N-phenyl-
(1)ACD/LogP: 5.16; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 5.16; (4)ACD/LogD (pH 7.4): 5.16; (5)ACD/BCF (pH 5.5): 4913.2; (6)ACD/BCF (pH 7.4): 4913.28; (7)ACD/KOC (pH 5.5): 15271.08; (8)ACD/KOC (pH 7.4): 15271.33; (9)#H bond acceptors: 1; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 3; (12)Index of Refraction: 1.646; (13)Molar Refractivity: 80.21 cm3; (14)Molar Volume: 220.7 cm3; (15)Surface Tension: 45.6 dyne/cm; (16)Density: 1.111 g/cm3; (17)Flash Point: 217.6 °C; (18)Enthalpy of Vaporization: 66.36 kJ/mol; (19)Boiling Point: 411.2 °C at 760 mmHg; (20)Vapour Pressure: 5.68E-07 mmHg at 25°C.
3. Structure descriptors of [1,1'-Biphenyl]-4-amine,N-phenyl-
(1)SMILES: c1ccc(cc1)c2ccc(cc2)Nc3ccccc3
(2)InChI: InChI=1/C18H15N/c1-3-7-15(8-4-1)16-11-13-18(14-12-16)19-17-9-5-2-6-10-17/h1-14,19H
(3)InChIKey: YGNUPJXMDOFFDO-UHFFFAOYAR
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