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| CAS No.: | 96530-59-5 |
|---|---|
| Name: | 1-(4-Iodophenyl)piperazine |
| Article Data: | 8 |
| Molecular Structure: | |
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| Formula: | C10H13IN2 |
| Molecular Weight: | 288.131 |
| Synonyms: | 4-(4-Iodophenyl)piperazine; |
| Density: | 1.602 g/cm3 |
| Boiling Point: | 370.3 °C at 760 mmHg |
| Flash Point: | 177.8 °C |
| Appearance: | pale yellow solid |
| PSA: | 15.27000 |
| LogP: | 2.09460 |
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- Total:21 Page 1 of 1 1
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Specification
This chemical is called Piperazine,1-(4-iodophenyl)-, and its systematic name is 1-(4-iodophenyl)piperazine. With the molecular formula of C10H13IN2, its molecular weight is 288.13. The CAS registry number of this chemical is 96530-59-5. Additionally, its product categories are Pharmacetical; Organohalides.
Other characteristics of the Piperazine,1-(4-iodophenyl)- can be summarised as followings: (1)ACD/LogP: 2.51; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.24; (4)ACD/LogD (pH 7.4): 1.38; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 3.51; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 40.74; (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: 1.614; (14)Molar Refractivity: 62.71 cm3; (15)Molar Volume: 179.8 cm3; (16)Polarizability: 24.86×10-24cm3; (17)Surface Tension: 43.9 dyne/cm; (18)Density: 1.602 g/cm3; (19)Flash Point: 177.8 °C; (20)Enthalpy of Vaporization: 61.72 kJ/mol; (21)Boiling Point: 370.3 °C at 760 mmHg; (22)Vapour Pressure: 1.12E-05 mmHg at 25°C.
You can still convert the following datas into molecular structure:
1.SMILES: Ic1ccc(cc1)N2CCNCC2
2.InChI: InChI=1/C10H13IN2/c11-9-1-3-10(4-2-9)13-7-5-12-6-8-13/h1-4,12H,5-8H2
3.InChIKey: CFZRRGPCDUOJHX-UHFFFAOYAI