1-(2-BUTYL)-PIPERAZINE

The Piperazine,1-(1-methylpropyl)-, with CAS registry number of 34581-21-0, is also known as 1-But-2-ylpiperazine. It belongs to category of Piperaizine. Its systematic name is 1-(1-methylpropyl)piperazine. Its molecular formula is C₈H₁₈N₂, and its molecular weight is 142.2419.

Physical properties about this chemical are: (1) ACD/LogP: 1.23; (2) # of Rule of 5 Violations: 0; (3) ACD/LogD (pH 5.5): -1.83; (4) ACD/LogD (pH 7.4): -0.73; (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): 1.22; (9) # H bond acceptors: 2; (10) # H bond donors: 1; (11) # Freely Rotating Bonds: 2; (12) Polar Surface Area: 6.48 Å²; (13) Index of Refraction: 1.453; (14) Molar Refractivity: 43.85 cm³; (15) Molar Volume: 162.1 cm³; (16) Polarizability: 17.38×10^-24 cm³; (17) Surface Tension: 28.1 dyne/cm; (18) Density: 0.877 g/cm³; (19)Flash Point: 61.3 °C; (20) Enthalpy of Vaporization: 42.58 kJ/mol; (21)Boiling Point: 189.6 °C at 760 mmHg; (22) Vapour Pressure: 0.564 mmHg at 25°C.

Preparation of Piperazine,1-(1-methylpropyl)-: it is prepared by reaction of piperazine with 2-bromo-butane. The reaction needs reagent triethylamine and solvent ethanol. After 66 hours the yield is about 43%.

Uses of Piperazine,1-(1-methylpropyl)-: it is used to produce other chemicals. For example, it can react with 3'-tert-butyldimethylsilyloxybenzoxazinorifamycin to get C₅₁H₆₄N₄O₁₃. The reaction occurs with reagent manganese dioxide and solvent dimethylsulfoxide as well as other condition such as reacts at ambient temperature for 22 hours. The yield is 64%.

When you are using this chemical, please be cautious about it as the following:
As a chemical, it is irritant and may cause inflammation to the skin or other mucous membranes.

You can still convert the following datas into molecular structure:
(1) SMILES: N1CCN(C(CC)C)CC1
(2) InChI: InChI=1/C8H18N2/c1-3-8(2)10-6-4-9-5-7-10/h8-9H,3-7H2,1-2H3
(3) InChIKey: ZHHCLIRTNOSAPB-UHFFFAOYAC