Piperazine,1-(2-fluoro-4-nitrophenyl)-4-methyl- (221198-29-4)

The 1-(2-Fluoro-4-nitrophenyl)-4-methylpiperazine, with the CAS registry number 221198-29-4, is also known as Piperazine, 1-(2-fluoro-4-nitrophenyl)-4-methyl-. This chemical's molecular formula is C₁₁H₁₄FN₃O₂ and molecular weight is 239.25. Its systematic name is called 1-(2-fluoro-4-nitrophenyl)-4-methylpiperazine.

Physical properties about this chemical are: (1)ACD/LogP: 2.51; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.08; (4)ACD/LogD (pH 7.4): 2.39; (5)ACD/BCF (pH 5.5): 1.76; (6)ACD/BCF (pH 7.4): 35.82; (7)ACD/KOC (pH 5.5): 20.42; (8)ACD/KOC (pH 7.4): 415.22; (9)#H bond acceptors: 5; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Index of Refraction: 1.562; (13)Molar Refractivity: 61.27 cm³; (14)Molar Volume: 188.8 cm³; (15)Surface Tension: 45.9 dyne/cm; (16)Density: 1.267 g/cm³; (17)Flash Point: 174.9 °C; (18)Melting Point: 71-72 °C; (19)Enthalpy of Vaporization: 61.19 kJ/mol; (20)Boiling Point: 365.6 °C at 760 mmHg; (21)Vapour Pressure: 1.55E-05 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
This chemical may cause inflammation to the skin or other mucous membranes. It is irritating to eyes, respiratory system and skin. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. Whenever you will contact it, please wear suitable protective clothing, gloves and eye/face protection.

You can still convert the following datas into molecular structure:
(1)SMILES: [O-][N+](=O)c1ccc(c(F)c1)N2CCN(C)CC2
(2)InChI: InChI=1/C11H14FN3O2/c1-13-4-6-14(7-5-13)11-3-2-9(15(16)17)8-10(11)12/h2-3,8H,4-7H2,1H3
(3)InChIKey: UWZIHNDVFUJRHD-UHFFFAOYAZ