1-(4-METHOXYBENZYL)PIPERAZINE

The Piperazine,1-[(4-methoxyphenyl)methyl]-, with CAS registry number 21867-69-6, belongs to the following product categories: (1)API intermediates; (2)Building Blocks; (3)Heterocyclic Building Blocks; (4)Piperazines. It has the systematic name of 1-(4-methoxybenzyl)piperazine. And the chemical formula of this chemical is C₁₂H₁₈N₂O.

Physical properties of Piperazine,1-[(4-methoxyphenyl)methyl]-: (1)ACD/LogP: 1.27; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 3; (4)#H bond donors: 1; (5)#Freely Rotating Bonds: 3; (6)Polar Surface Area: 15.71 Å²; (7)Index of Refraction: 1.537; (8)Molar Refractivity: 61.2 cm³; (9)Molar Volume: 195.8 cm³; (10)Polarizability: 24.26×10^-24cm³; (11)Surface Tension: 38.4 dyne/cm; (12)Density: 1.053 g/cm³; (13)Flash Point: 145 °C; (14)Enthalpy of Vaporization: 55.75 kJ/mol; (15)Boiling Point: 316.2 °C at 760 mmHg; (16)Vapour Pressure: 0.000417 mmHg at 25°C.

Preparation: this chemical can be prepared by piperazine and 1-chloromethyl-4-methoxy-benzene. This reaction will need solvent toluene. The reaction time is 2 hour(s) with reaction temperature of 85 ℃. The yield is about 37%.

When you are using this chemical, please be cautious about it as the following:
The Piperazine,1-[(4-methoxyphenyl)methyl]- is harmful if swallowed. When use it, wear suitable protective clothing, gloves and eye/face protection. If contact with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1)SMILES: O(c1ccc(cc1)CN2CCNCC2)C
(2)InChI: InChI=1/C12H18N2O/c1-15-12-4-2-11(3-5-12)10-14-8-6-13-7-9-14/h2-5,13H,6-10H2,1H3
(3)InChIKey: MGLUVVBFISROAH-UHFFFAOYAY
(4)Std. InChI: InChI=1S/C12H18N2O/c1-15-12-4-2-11(3-5-12)10-14-8-6-13-7-9-14/h2-5,13H,6-10H2,1H3
(5)Std. InChIKey: MGLUVVBFISROAH-UHFFFAOYSA-N