N-[(2-Chlorophenyl)methyl]butan-1-amine

This chemical is called N-[(2-Chlorophenyl)methyl]butan-1-amine, and it can also be named as Benzenemethanamine, N-butyl-2-chloro-. With the molecular formula of C₁₁H₁₆ClN, its molecular weight is 197.707. The CAS registry number of this chemical is 16183-39-4, and its systematic name is N-(2-Chlorobenzyl)butan-1-amine. 

Other characteristics of the N-[(2-Chlorophenyl)methyl]butan-1-amine can be summarised as followings: (1)ACD/LogP: 3.71; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 1; (4)#H bond donors: 1; (5)#Freely Rotating Bonds: 5; (6)Polar Surface Area: 3.24 Ų; (7)Index of Refraction: 1.516; (8)Molar Refractivity: 58.19 cm³; (9)Molar Volume: 192.5 cm³; (10)Polarizability: 23.06×10^-24 cm³; (11)Surface Tension: 34.6 dyne/cm; (12)Density: 1.026 g/cm³; (13)Flash Point: 113.6 °C; (14)Enthalpy of Vaporization: 50.21 kJ/mol; (15)Boiling Point: 264.2 °C at 760 mmHg; (16)Vapour Pressure: 0.00984 mmHg at 25°C.

Production method of this chemical: The N-[(2-Chlorophenyl)methyl]butan-1-amine could be obtained by the reactant of 2-Chloro-benzoic acid butylamide. This reaction needs the reagent of borane-dimethylsulfide, and the solvent of toluene. The yield is 81 %. In addition, this reaction should be taken for 2 hours. The other condition is heating.



You can still convert the following datas into molecular structure:
1.SMILES: Clc1ccccc1CNCCCC
2.InChI: InChI=1/C11H16ClN/c1-2-3-8-13-9-10-6-4-5-7-11(10)12/h4-7,13H,2-3,8-9H2,1H3
3.InChIKey: PUEUFOKKVOOXEW-UHFFFAOYAL