4-BENZYLANILINE

The IUPAC name of this chemical is 4-benzylaniline. With the CAS registry number 1135-12-2, it is also named as Benzenamine, 4-(phenylmethyl)-. The product's categories are Amines; C11 to C38; Nitrogen Compounds. It is colorless to yellow transparent liquid which is should be sealed in the container and stored in the cool and dry place.

The other characteristics of this product can be summarized as: (1)ACD/LogP: 2.93; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.85; (4)ACD/LogD (pH 7.4): 2.92; (5)#H bond acceptors: 1; (6)#H bond donors: 2; (7)#Freely Rotating Bonds: 3; (8)Index of Refraction: 1.616; (9)Molar Refractivity: 59.8 cm³; (10)Molar Volume: 171.1 cm³; (11)Polarizability: 23.7×10^-24 cm³; (12)Surface Tension: 45.3 dyne/cm; (13)Enthalpy of Vaporization: 54 kJ/mol; (14)Vapour Pressure: 0.00115 mmHg at 25°C; (15)Rotatable Bond Count: 2; (16)Exact Mass: 183.104799; (17)MonoIsotopic Mass: 183.104799; (18)Topological Polar Surface Area: 26; (19)Heavy Atom Count: 14; (20)Complexity: 153.

Preparation of 4-Benzylaniline: It can be obtained by 4-benzotriazol-1-ylmethyl-aniline and phenylmagnesium bromide. This reaction needs reagent benzene by heating. The reaction time is 48 hours. The yield is 48%.

Uses of 4-Benzylaniline: It can react with 1-(2-chloro-ethyl)-pyrrolidine; hydrochloride to get (4-benzyl-phenyl)-(2-pyrrolidin-1-yl-ethyl)-amine. This reaction which is alkylationneeds reagent K₂CO₃ and solvent dimethylformamide at temperature of 80-90 °C. The yield is 48%.

When you are using this chemical, please be cautious about it as the following:
It is irritating to eyes, respiratory system and skin. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. If you want to contact this product, you must wear suitable protective clothing.

People can use the following data to convert to the molecule structure. 
1. SMILES:Nc2ccc(Cc1ccccc1)cc2
2. InChI:InChI=1/C13H13N/c14-13-8-6-12(7-9-13)10-11-4-2-1-3-5-11/h1-9H,10,14H2 
3. InChIKey:WDTRNCFZFQIWLM-UHFFFAOYAF