N-(TRIPHENYLMETHYL)ANILINE

The N-Tritylaniline, with the CAS registry number of 4471-22-1, is also known as N-(Triphenylmethyl)aniline. This chemical's molecular formula is C₂₅H₂₁N and molecular weight is 335.44. What's more, its IUPAC name is called N-Tritylaniline.

Physical properties about N-Tritylaniline are: (1)ACD/LogP: 6.24; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 6.24; (4)ACD/LogD (pH 7.4): 6.24; (5)ACD/BCF (pH 5.5): 32628.92; (6)ACD/BCF (pH 7.4): 32657.56; (7)ACD/KOC (pH 5.5): 59198.57; (8)ACD/KOC (pH 7.4): 59250.52; (9)#H bond acceptors: 1; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 3.24 Å²; (13)Index of Refraction: 1.653; (14)Molar Refractivity: 108.71 cm³; (15)Molar Volume: 296.6 cm³; (16)Surface Tension: 47.4 dyne/cm; (17)Density: 1.13 g/cm³; (18)Flash Point: 249.2 °C; (19)Enthalpy of Vaporization: 72.89 kJ/mol; (20)Boiling Point: 467 °C at 760 mmHg; (21)Vapour Pressure: 6.74E-09 mmHg at 25 °C.

Preparation: this chemical is prepared by reaction of Chloro-triphenyl-methane with Aniline. The reaction time is 1.5 hours with reaction temperature of 50 °C. The yield is about 63 %.

Uses of N-Tritylaniline: it is used to produce other chemicals. For example, it is used to produce 4-Trityl-aniline by heating. The reaction needs reagent PhNH₂•HCl and various solvents. The reaction time is 2 hours. The yield is about 64 %.

You can still convert the following datas into molecular structure:
(1) SMILES: c1(ccccc1)C(Nc2ccccc2)(c3ccccc3)c4ccccc4
(2) InChI: InChI=1/C25H21N/c1-5-13-21(14-6-1)25(22-15-7-2-8-16-22,23-17-9-3-10-18-23)26-24-19-11-4-12-20-24/h1-20,26H
(3) InChIKey: RFGSRKHZQYWJJW-UHFFFAOYAK