Basic Information | Post buying leads | Suppliers | Cas Database |
Name |
1-(4-Iodophenyl)piperazine |
EINECS | N/A |
CAS No. | 96530-59-5 | Density | 1.602 g/cm3 |
PSA | 15.27000 | LogP | 2.09460 |
Solubility | N/A | Melting Point |
N/A |
Formula | C10H13IN2 | Boiling Point | 370.3 °C at 760 mmHg |
Molecular Weight | 288.131 | Flash Point | 177.8 °C |
Transport Information | N/A | Appearance | pale yellow solid |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
4-(4-Iodophenyl)piperazine; |
Article Data | 8 |
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