Piperazine,1-(3-nitro-2-pyridinyl)-4-(phenylmethyl)- (499771-07-2)

The 1-Benzyl-4-(3-nitropyridin-2-yl)piperazine with the CAS number 499771-07-2 is also called Piperazine,1-(3-nitro-2-pyridinyl)-4-(phenylmethyl)-. Its molecular formula is C₁₆H₁₈N₄O₂. This chemical is a kind of organics. It should be stored in dry and cool environment.

The properties of the 1-Benzyl-4-(3-nitropyridin-2-yl)piperazine are: (1)ACD/LogP: 3.42; (2)# of Rule of 5 Violations: 0 ; (3)#H bond acceptors: 6; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 4; (6)Polar Surface Area: 65.19 Å²; (7)Index of Refraction: 1.628; (8)Molar Refractivity: 83.82 cm³; (9)Molar Volume: 236.1 cm³; (10)Polarizability: 33.23×10^-24cm³; (11)Surface Tension: 58.6 dyne/cm; (12)Enthalpy of Vaporization: 71.23 kJ/mol; (13)Vapour Pressure: 2.15×10^-8 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: [O-][N+](=O)c3cccnc3N2CCN(Cc1ccccc1)CC2
(2)InChI: InChI=1/C16H18N4O2/c21-20(22)15-7-4-8-17-16(15)19-11-9-18(10-12-19)13-14-5-2-1-3-6-14/h1-8H,9-13H2
(3)InChIKey: JSBNNOROVYIJTC-UHFFFAOYAN