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| CAS No.: | 2815-34-1 |
|---|---|
| Name: | trans-2,5-Dimethylpiperazine |
| Article Data: | 26 |
| Molecular Structure: | |
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|
| Formula: | C6H14N2 |
| Molecular Weight: | 114.191 |
| Synonyms: | Piperazine,2,5-dimethyl-, trans- (8CI);(2R,5S)-2,5-Dimethylpiperazine;NSC 3708;meso-2,5-Dimethylpiperazine; |
| EINECS: | 203-409-4 |
| Density: | 0.824 g/cm3 |
| Melting Point: | 115-118 °C(lit.) |
| Boiling Point: | 165.9 °C at 760 mmHg |
| Flash Point: | 58.3 °C |
| Solubility: | 50 g/100 mL (20 °C) in water |
| Appearance: | white to dark yellow crystalline powder or crystals |
| Hazard Symbols: |
 F,  Xn,  C
|
| Risk Codes: | 11-35-20/21/22 |
| Safety: | 16-27-36/37/39-7/9-45-33-26-8 |
| Transport Information: | UN 2926 4.1/PG 2 |
| PSA: | 24.06000 |
| LogP: | 0.61380 |
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Specification
The trans-2,5-Dimethylpiperazine, with the CAS registry number 2815-34-1, is also known as 2,5-Dimethylpiperazine. It belongs to the product categories of Nitrogen Cyclic Compounds; Building Blocks; Heterocyclic Building Blocks; Piperazines. Its EINECS registry number is 203-409-4. This chemical's molecular formula is C6H14N2 and molecular weight is 114.19. What's more, its systematic name is called (2R,5S)-2,5-Dimethylpiperazine. It is used as a pharmaceutical intermediates.
Physical properties about trans-2,5-Dimethylpiperazine are: (1)ACD/LogP: -0.19; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 2; (4)#H bond donors: 2; (5)#Freely Rotating Bonds: 0; (6)Polar Surface Area: 6.48 Å2; (7)Index of Refraction: 1.413; (8)Molar Refractivity: 34.55 cm3; (9)Molar Volume: 138.5 cm3; (10)Surface Tension: 23.3 dyne/cm; (11)Density: 0.824 g/cm3; (12)Flash Point: 58.3 °C; (13)Enthalpy of Vaporization: 40.24 kJ/mol; (14)Boiling Point: 165.9 °C at 760 mmHg; (15)Vapour Pressure: 1.83 mmHg at 25 °C.
When you are dealing with this chemical, you should be very careful. This chemical may catch fire in contact with air, only need brief contact with an ignition source and have a very low flash point or evolve highly flammable gases in contact with water. It may cause damage to health and may destroy living tissue on contact. And this chemical is highly flammable and harmful by inhalation, in contact with skin and if swallowed. Therefore, you should wear suitable protective clothing, gloves and eye/face protection. And you should keep container tightly closed, dry and in a well-ventilated place. In case of contacting with eyes, you should rinse immediately with plenty of water and seek medical advice.
You can still convert the following datas into molecular structure:
(1) SMILES: N1C[C@@H](NC[C@H]1C)C
(2) InChI: InChI=1S/C6H14N2/c1-5-3-8-6(2)4-7-5/h5-8H,3-4H2,1-2H3/t5-,6+
(3) InChIKey: NSMWYRLQHIXVAP-OLQVQODUSA-N