4-Amino-1-benzylpiperidine

The 4-Piperidinamine,1-(phenylmethyl)-, with the CAS registry number 50541-93-0 and EINECS registry number 256-620-9, has the systematic name and IUPAC name of 1-benzylpiperidin-4-amine. It is a kind of clear colourless to light yellow liquid, and belongs to the following product categories: Pharmaceutical intermediates; Piperidines, Piperidones, Piperazines; Piperidine; Amines; Building Blocks; Heterocyclic Building Blocks; Piperidines. And the molecular formula of the chemical is C₁₂H₁₈N₂. What's more, it should be stored at 2-8°C. 

The characteristics of 4-Piperidinamine,1-(phenylmethyl)- are as followings: (1)ACD/LogP: 2.46; (2)# of Rule of 5 Violations: 0; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 1; (6)ACD/KOC (pH 7.4): 1.365; (7)#H bond acceptors: 2; (8)#H bond donors: 2; (9)#Freely Rotating Bonds: 3; (10)Polar Surface Area: 29.26 Å²; (11)Index of Refraction: 1.561; (12)Molar Refractivity: 59.345 cm³; (13)Molar Volume: 183.389 cm³; (14)Polarizability: 23.526×10^-24cm³; (15)Surface Tension: 42.619 dyne/cm; (16)Density: 1.038 g/cm³; (17)Flash Point: 113.886 °C; (18)Enthalpy of Vaporization: 51.994 kJ/mol; (19)Boiling Point: 281.153 °C at 760 mmHg; (20)Vapour Pressure: 0.004 mmHg at 25°C. 

Uses of 4-Piperidinamine,1-(phenylmethyl)-: It can react with 2-chloro-pyrimidine to produce 1-benzyl-4-(2'-pyrimidylamino)piperidine. This reaction will need reagent K₂CO₃, and the menstruum xylene. The reaction time is 24 hours with heating, and the yield is about 54%. 

You should be cautious while dealing with this chemical. It irritates to eyes, respiratory system and skin. Therefore, you had better take the following instructions: Wear suitable protective clothing, and if in case of contacting with eyes, rinse immediately with plenty of water and seek medical advice.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: c1ccc(cc1)CN2CCC(CC2)N
(2)InChI: InChI=1/C12H18N2/c13-12-6-8-14(9-7-12)10-11-4-2-1-3-5-11/h1-5,12H,6-10,13H2
(3)InChIKey: YUBDLZGUSSWQSS-UHFFFAOYAB