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1-(4-Methylbenzyl)piperazine

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Name

1-(4-Methylbenzyl)piperazine

EINECS N/A
CAS No. 23173-57-1 Density 1.011 g/cm3
PSA 15.27000 LogP 1.66690
Solubility N/A Melting Point 37-41 °C(lit.)
Formula C12H18N2 Boiling Point 291.6 °C at 760 mmHg
Molecular Weight 190.288 Flash Point 120.3 °C
Transport Information N/A Appearance N/A
Safety 26-39 Risk Codes 37/38-41
Molecular Structure Molecular Structure of 23173-57-1 (1-(4-Methylbenzyl)piperazine) Hazard Symbols IrritantXi
Synonyms

Piperazine,1-(p-methylbenzyl)- (7CI,8CI);1-(p-Methylbenzyl)piperazine;N-(p-Methylbenzyl)piperazine;

Article Data 16

1-(4-Methylbenzyl)piperazine Specification

The Piperazine,1-[(4-methylphenyl)methyl]-, with the CAS registry number 23173-57-1, is also known as NSC57852. It belongs to the product categories of Building Blocks; Heterocyclic Building Blocks; Piperazines. This chemical's molecular formula is C12H18N2 and molecular weight is 190.2847. Its IUPAC name is called 1-(1-hydroxycyclopentyl)cyclohexan-1-ol.

Physical properties of Piperazine,1-[(4-methylphenyl)methyl]-: (1)ACD/LogP: 1.82; (2)#H bond acceptors: 2; (3)#H bond donors: 1; (4)#Freely Rotating Bonds: 2; (5)Index of Refraction: 1.543; (6)Molar Refractivity: 59.35 cm3; (7)Molar Volume: 188.1 cm3; (8)Surface Tension: 38 dyne/cm; (9)Density: 1.011 g/cm3; (10)Flash Point: 120.3 °C; (11)Enthalpy of Vaporization: 53.11 kJ/mol; (12)Boiling Point: 291.6 °C at 760 mmHg; (13)Vapour Pressure: 0.00192 mmHg at 25°C.

Preparation: this chemical can be prepared by piperazine and 1-chloromethyl-4-methyl-benzene. This reaction will need solvent toluene. The reaction time is 2 hours with reaction temperature of 85 °C. The yield is about 36%.

Uses of Piperazine,1-[(4-methylphenyl)methyl]-: it can be used to produce 3-[4-(4-methyl-benzyl)-piperazin-1-yl]-propan-1-ol by heating. This reaction will need reagent K2CO3 and solvent butan-2-one. The yield is about 94%.

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 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 eye/face protection.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1CCC(CC1)(C2(CCCC2)O)O
(2)InChI: InChI=1S/C11H20O2/c12-10(6-2-1-3-7-10)11(13)8-4-5-9-11/h12-13H,1-9H2
(3)InChIKey: FLPGXRXHSWPSFZ-UHFFFAOYSA-N

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