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| CAS No.: | 51619-55-7 |
|---|---|
| Name: | 1-(1-HEXYL)-PIPERAZINE |
| Article Data: | 2 |
| Molecular Structure: | |
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|
|
| Formula: | C10H22N2 |
| Molecular Weight: | 170.298 |
| Synonyms: | 1-Hexylpiperazine;N-Hexylpiperazine;1-hexylpiperazine;1-(1-Hexyl)-piperazine;hexylpiperazine; |
| EINECS: | 625-179-8 |
| Density: | 0.863 g/cm3 |
| Boiling Point: | 239 °C at 760 mmHg |
| Flash Point: | 81.4 °C |
| Hazard Symbols: |
 Xi
|
| Risk Codes: | 36/37/38 |
| Safety: | 26 |
| PSA: | 15.27000 |
| LogP: | 1.73860 |
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- Total:19 Page 1 of 1 1
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Specification
The Piperazine, 1-hexyl-, with the CAS registry number 51619-55-7, has the systematic name and IUPAC name of 1-hexylpiperazine. It belongs to the following product categories: Piperidines, Piperidones, Piperazines; Building Blocks; Heterocyclic Building Blocks; Piperazines. And the molecular formula of the chemical is C10H22N2.
The characteristics of Piperazine, 1-hexyl- are as followings: (1)ACD/LogP: 2.48; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.59; (4)ACD/LogD (pH 7.4): 0.43; (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): 4.74; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 6.48 Å2; (13)Index of Refraction: 1.452; (14)Molar Refractivity: 53.21 cm3; (15)Molar Volume: 197.1 cm3; (16)Polarizability: 21.09×10-24cm3; (17)Surface Tension: 28.5 dyne/cm; (18)Density: 0.863 g/cm3; (19)Flash Point: 81.4 °C; (20)Enthalpy of Vaporization: 47.58 kJ/mol; (21)Boiling Point: 239 °C at 760 mmHg; (22)Vapour Pressure: 0.0412 mmHg at 25°C.
You should be cautious while dealing with this chemical. It irritates to eyes, respiratory system and skin. Therefore, you had better take the following instructions: If in case of contacting with eyes, rinse immediately with plenty of water and seek medical advice.
Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: N1CCN(CCCCCC)CC1
(2)InChI: InChI=1/C10H22N2/c1-2-3-4-5-8-12-9-6-11-7-10-12/h11H,2-10H2,1H3
(3)InChIKey: WRFUXAYDZDQDKY-UHFFFAOYAK