Piperazine,2-(phenylmethyl)- (84477-71-4)

The 2-Benzylpiperazine, with the CAS registry number 84477-71-4, is also called piperazine, 2-(phenylmethyl)-. It belongs to the product category of Piperidine. And the molecular formula of the chemical is C₁₁H₁₆N₂.

The characteristics of 2-Benzylpiperazine are as followings: (1)ACD/LogP: 0.96; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -2.31; (4)ACD/LogD (pH 7.4): -1.45; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 2; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 6.48 Å²; (13)Index of Refraction: 1.526; (14)Molar Refractivity: 54.3 cm³; (15)Molar Volume: 176.8 cm³; (16)Polarizability: 21.53×10^-24cm³; (17)Surface Tension: 37.2 dyne/cm; (18)Density: 0.996 g/cm³; (19)Flash Point: 165.8 °C; (20)Enthalpy of Vaporization: 53.25 kJ/mol; (21)Boiling Point: 293 °C at 760 mmHg; (22)Vapour Pressure: 0.00178 mmHg at 25°C.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: c1c(cccc1)CC2NCCNC2
(2)InChI: InChI=1/C11H16N2/c1-2-4-10(5-3-1)8-11-9-12-6-7-13-11/h1-5,11-13H,6-9H2
(3)InChIKey: RITMXTLCKYLIKW-UHFFFAOYAT