4-[(4-Methyl-1-piperazinyl)carbonyl]aniline (55121-99-8)

The 4-[(4-Methyl-1-piperazinyl)carbonyl]aniline is an organic compound with the formula C₁₂H₁₇N₃O. The IUPAC name of this chemical is (4-aminophenyl)-(4-methylpiperazin-1-yl)methanone. With the CAS registry number 55121-99-8, it is also named as methanone, (4-aminophenyl)(4-methyl-1-piperazinyl)-.

Physical properties about 4-[(4-Methyl-1-piperazinyl)carbonyl]aniline are: (1)ACD/LogP: -0.41; (2)#H bond acceptors: 4; (3)#H bond donors: 2; (4)#Freely Rotating Bonds: 2; (5)Polar Surface Area: 26.79 Å²; (6)Index of Refraction: 1.598; (7)Molar Refractivity: 64.16 cm³; (8)Molar Volume: 187.8 cm³; (9)Polarizability: 25.43×10^-24cm³; (10)Surface Tension: 50.2 dyne/cm; (11)Density: 1.167 g/cm³; (12)Flash Point: 200 °C; (13)Enthalpy of Vaporization: 65.88 kJ/mol; (14)Boiling Point: 407 °C at 760 mmHg; (15)Vapour Pressure: 7.78E-07 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(N1CCN(C)CC1)c2ccc(N)cc2
(2)InChI: InChI=1/C12H17N3O/c1-14-6-8-15(9-7-14)12(16)10-2-4-11(13)5-3-10/h2-5H,6-9,13H2,1H3
(3)InChIKey: WTBSUAXLZLAHPE-UHFFFAOYAZ
(4)Std. InChI: InChI=1S/C12H17N3O/c1-14-6-8-15(9-7-14)12(16)10-2-4-11(13)5-3-10/h2-5H,6-9,13H2,1H3
(5)Std. InChIKey: WTBSUAXLZLAHPE-UHFFFAOYSA-N