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| CAS No.: | 69628-75-7 |
|---|---|
| Name: | 1-(2-PHENYLETHYL)PIPERAZINE |
| Molecular Structure: | |
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|
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| Formula: | C12H18N2 |
| Molecular Weight: | 190.288 |
| Synonyms: | Piperazine,1-(a-methylbenzyl)- (7CI);1-(1-Phenylethyl)piperazine;1-(a-Methylbenzyl)piperazine; |
| EINECS: | 226-186-5 |
| Density: | 1.006 g/cm3 |
| Boiling Point: | 277.5 °C at 760 mmHg |
| Flash Point: | 109.1 °C |
| Hazard Symbols: |
 C, Xn, Xi
|
| Risk Codes: | 22-34 |
| Safety: | 26-36/37/39-45 |
| Transport Information: | UN 2922 8/PG 3 |
| PSA: | 15.27000 |
| LogP: | 1.91950 |
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Specification
The CAS register number of Piperazine,1-(1-phenylethyl)- is 69628-75-7. It also can be called as 1-(a-Methylbenzyl)piperazine and the IUPAC name about this chemical is 1-(1-phenylethyl)piperazine. The molecular formula about this chemical is C12H18N2 and the molecular weight is 190.28.
Physical properties about Piperazine,1-(1-phenylethyl)- are: (1)ACD/LogP: 1.71; (2)ACD/LogD (pH 5.5): -1.29; (3)ACD/LogD (pH 7.4): -0.02; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 1; (7)ACD/KOC (pH 7.4): 3.83; (8)#H bond acceptors: 2; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 2; (11)Polar Surface Area: 6.48Å2; (12)Index of Refraction: 1.538; (13)Molar Refractivity: 59.16 cm3; (14)Molar Volume: 189.1 cm3; (15)Polarizability: 23.45x10-24cm3; (16)Surface Tension: 37.2 dyne/cm; (17)Enthalpy of Vaporization: 51.6 kJ/mol; (18)Boiling Point: 277.5 °C at 760 mmHg; (19)Vapour Pressure: 0.00451 mmHg at 25°C.
Uses of Piperazine,1-(1-phenylethyl)-: it can be used to produce 1-(a-Phenylethyl)-4-[2-hydroxy-3-(1-naphthoxy)-propyl-1]-piperazine with naphthalen-1-yloxymethyl-oxirane at heating. This reaction will need solvent ethanol with reaction time of 3 hours. The yield is about 60%.
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When you are using this chemical, please be cautious about it as the following:
This chemical is harmful if swallowed and it can cause burns. When you are using it, wear suitable protective clothing, gloves and eye/face protection. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice and in case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.)
You can still convert the following datas into molecular structure:
(1)SMILES: c1(ccccc1)C(N2CCNCC2)C
(2)InChI: InChI=1/C12H18N2/c1-11(12-5-3-2-4-6-12)14-9-7-13-8-10-14/h2-6,11,13H,7-10H2,1H3
(3)InChIKey: PYBNQKSXWAIBKN-UHFFFAOYAV
(4)Std. InChI: InChI=1S/C12H18N2/c1-11(12-5-3-2-4-6-12)14-9-7-13-8-10-14/h2-6,11,13H,7-10H2,1H3
(5)Std. InChIKey: PYBNQKSXWAIBKN-UHFFFAOYSA-N