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| CAS No.: | 1013-22-5 |
|---|---|
| Name: | 1-(2,3-Dimethylphenyl)piperazine |
| Molecular Structure: | |
|
|
|
| Formula: | C12H18N2 |
| Molecular Weight: | 190.288 |
| Synonyms: | Piperazine,1-(2,3-xylyl)- (6CI,7CI,8CI);1-(2,3-Xylyl)piperazine;4-(2,3-Dimethylphenyl)piperazine;N-(2,3-Dimethylphenyl)piperazine; |
| EINECS: | 213-794-0 |
| Density: | 1 g/cm3 |
| Boiling Point: | 338.267 °C at 760 mmHg |
| Flash Point: | 156.052 °C |
| Appearance: | clear light yellow viscous liquid |
| Hazard Symbols: |
 C,  Xi
|
| Risk Codes: | 34-21/22 |
| Safety: | 45-36/37/39-26-23 |
| PSA: | 15.27000 |
| LogP: | 2.10680 |
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Specification
The Piperazine,1-(2,3-dimethylphenyl)-, with the CAS registry number 1013-22-5, is also known as 1-(2,3-Xylyl)piperazine. It belongs to the product categories of Piperaizine; API intermediates. Its EINECS registry number is 213-794-0. This chemical's molecular formula is C12H18N2 and molecular weight is 190.28. Its IUPAC name is called 1-(2,3-dimethylphenyl)piperazine.
Physical properties of Piperazine,1-(2,3-dimethylphenyl)-: (1)ACD/LogP: 2.03; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.87; (4)ACD/LogD (pH 7.4): 0.59; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 11.01; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 1; (12)Index of Refraction: 1.537; (13)Molar Refractivity: 59.45 cm3; (14)Molar Volume: 190.2 cm3; (15)Surface Tension: 35.8 dyne/cm; (16)Density: 0.999 g/cm3; (17)Flash Point: 156.1 °C; (18)Enthalpy of Vaporization: 58.16 kJ/mol; (19)Boiling Point: 338.3 °C at 760 mmHg; (20)Vapour Pressure: 9.93E-05 mmHg at 25°C.
When you are using this chemical, please be cautious about it as the following:
This chemical may destroy living tissue on contact and may cause inflammation to the skin or other mucous membranes. It is harmful in contact with skin and if swallowed. It may cause burns. 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 suitable protective clothing, gloves and eye/face protection. In case of accident or if you feel unwell seek medical advice immediately (show the label where possible).
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CC1=C(C(=CC=C1)N2CCNCC2)C
(2)InChI: InChI=1S/C12H18N2/c1-10-4-3-5-12(11(10)2)14-8-6-13-7-9-14/h3-5,13H,6-9H2,1-2H3
(3)InChIKey: LIKXJDINUMWKQA-UHFFFAOYSA-N