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Piperazine,1-[(4-methoxyphenyl)methyl]-

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Name

Piperazine,1-[(4-methoxyphenyl)methyl]-

EINECS N/A
CAS No. 21867-69-6 Density 1.053g/cm3
PSA 24.50000 LogP 1.36710
Solubility N/A Melting Point 32-36 °C(lit.)
Formula C12H18N2O Boiling Point 316.2 °C at 760 mmHg
Molecular Weight 206.288 Flash Point 145 °C
Transport Information N/A Appearance N/A
Safety 26-36/37/39 Risk Codes 22
Molecular Structure Molecular Structure of 21867-69-6 (1-(4-METHOXYBENZYL)PIPERAZINE) Hazard Symbols HarmfulXn; IrritantXi
Synonyms

Piperazine,1-(p-methoxybenzyl)- (6CI,7CI,8CI);1-(4-Methoxybenzyl)piperazine;1-p-Methoxybenzylpiperazine;N-(4-Methoxybenzyl)piperazine;NSC 28737;

Article Data 25

Piperazine,1-[(4-methoxyphenyl)methyl]- Specification

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

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