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| CAS No.: | 21043-43-6 |
|---|---|
| Name: | 1-CYCLOOCTYLPIPERAZINE |
| Molecular Structure: | |
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| Formula: | C12H24N2 |
| Molecular Weight: | 196.33 |
| Synonyms: | 1-Cyclooctyl-piperazin;1-cyclooctyl-piperazine;cyclooctylpiperazine;Piperazine,1-cyclooctyl; |
| Density: | 0.938 g/cm3 |
| Boiling Point: | 281.6 °C at 760 mmHg |
| Flash Point: | 102.5 °C |
| Hazard Symbols: |
 Xi
|
| Risk Codes: | 36/37/38 |
| Safety: | 26-36/37/39 |
| PSA: | 15.27000 |
| LogP: | 2.27120 |
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Specification
This chemical is called Piperazine,1-cyclooctyl-, and its systematic name is 1-cyclooctylpiperazine. With the molecular formula of C12H24N2, its molecular weight is 196.33. The CAS registry number of the chemical is 21043-43-6. Additionally, this chemical is irritant, please be careful when you use it.
Other characteristics of Piperazine,1-cyclooctyl- can be summarised as followings: (1)ACD/LogP: 3.01; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.08; (4)ACD/LogD (pH 7.4): 0.57; (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): 3.78; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 6.48 Å2; (13)Index of Refraction: 1.488; (14)Molar Refractivity: 60.29 cm3; (15)Molar Volume: 209.1 cm3; (16)Polarizability: 23.9×10-24cm3; (17)Surface Tension: 33.7 dyne/cm; (18)Density: 0.938 g/cm3; (19)Flash Point: 102.5 °C; (20)Enthalpy of Vaporization: 52.04 kJ/mol; (21)Boiling Point: 281.6 °C at 760 mmHg; (22)Vapour Pressure: 0.00354 mmHg at 25°C.
When you are using this chemical, please be cautious about it as the following: The chemical is irritating to eyes, respiratory system and skin. Wear suitable protective clothing, gloves and eye/face protection when you use it. In case of contacting with eyes, rinse immediately with plenty of water and seek medical advice.
You can still convert the following datas into molecular structure:
1.SMILES: N2CCN(C1CCCCCCC1)CC2
2.InChI: InChI=1/C12H24N2/c1-2-4-6-12(7-5-3-1)14-10-8-13-9-11-14/h12-13H,1-11H2
3.InChIKey: PXPPUXBOQHHYEJ-UHFFFAOYAY
4.Std. InChI: InChI=1S/C12H24N2/c1-2-4-6-12(7-5-3-1)14-10-8-13-9-11-14/h12-13H,1-11H2
5.Std. InChIKey: PXPPUXBOQHHYEJ-UHFFFAOYSA-N