5321-48-2
| Name | 1-(3-METHYLBENZYL)PIPERAZINE |
| CAS | 5321-48-2 |
| EINECS(EC#) | 226-184-4 |
| Molecular Formula | C12H18N2 |
| MDL Number | MFCD01321003 |
| Molecular Weight | 190.28 |
| MOL File | 5321-48-2.mol |
Chemical Properties
| Appearance | Pale Yellow Oil |
| Melting point | 110℃ |
| Boiling point | 256-257 °C(lit.) |
| density | 1.001 g/mL at 25 °C(lit.) |
| refractive index | n |
| Fp | >230 °F |
| storage temp. | Refrigerator |
| solubility | DMF: 30 mg/ml; DMSO: 30 mg/ml; Ethanol: 30 mg/ml; Ethanol:PBS (pH 7.2)(1:2): 0.33 mg/ml |
| form | Oil |
| pka | 9.18±0.10(Predicted) |
| color | Colourless to Pale Yellow |
| Usage | Piperazine derivative used as reference materials for forensic laboratories. They affect the central and the autonomic nervous systems, the blood pressure, and smooth muscle. |
| InChI | 1S/C12H18N2/c1-11-3-2-4-12(9-11)10-14-7-5-13-6-8-14/h2-4,9,13H,5-8,10H2,1H3 |
| InChIKey | VTEOTZPEMDQENX-UHFFFAOYSA-N |
| SMILES | Cc1cccc(CN2CCNCC2)c1 |
| CAS DataBase Reference | 5321-48-2(CAS DataBase Reference) |
Safety Data
| Hazard Codes | Xn,Xi |
| Risk Statements | |
| Safety Statements | |
| WGK Germany | 2 |
| RTECS | TM1400000 |
| Hazard Note | Irritant |
| HS Code | 29335990 |
| Storage Class | 11 - Combustible Solids |
| Hazard Classifications | Acute Tox. 4 Oral Eye Irrit. 2 Skin Irrit. 2 STOT SE 3 |