1-(4-Iodophenyl)piperazine supplier

Name
1-(4-Iodophenyl)piperazine
EINECS
CAS No. 96530-59-5
Article Data8
CAS DataBase
Density 1.602 g/cm³
Solubility
Melting Point
Formula C₁₀H₁₃IN₂
Boiling Point 370.3 °C at 760 mmHg
Molecular Weight 288.131
Flash Point 177.8 °C
Transport Information
Appearance pale yellow solid
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 4-(4-Iodophenyl)piperazine;
PSA 15.27000
LogP 2.09460

1-(4-Iodophenyl)piperazine 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

Product Name

1-(4-Iodophenyl)piperazine

1-(4-Iodophenyl)piperazine Specification

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