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CAS No.: | 91517-25-8 |
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Name: | 2-(4-CHLOROPHENYL)PIPERAZINE |
Article Data: | 2 |
Molecular Structure: | |
Formula: | C10H13ClN2 |
Molecular Weight: | 196.68 |
Synonyms: | 2-(4-Chlorophenyl)piperazine; |
Density: | 1.126 g/cm3 |
Boiling Point: | 319.5 °C at 760 mmHg |
Flash Point: | 147 °C |
PSA: | 24.06000 |
LogP: | 2.23150 |
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This chemical is called Piperazine, 2-(4-chlorophenyl)-, and its systematic name is 2-(4-chlorophenyl)piperazine. With the molecular formula of C10H13ClN2, its molecular weight is 196.68. The CAS registry number of this chemical is 91517-25-8. Additionally, its product category is Pharmacetical.
Other characteristics of the Piperazine, 2-(4-chlorophenyl)- can be summarised as followings: (1)ACD/LogP: 1.10; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 2; (4)#H bond donors: 2; (5)#Freely Rotating Bonds: 1; (6)Polar Surface Area: 6.48 Å2; (7)Index of Refraction: 1.536; (8)Molar Refractivity: 54.48 cm3; (9)Molar Volume: 174.6 cm3; (10)Polarizability: 21.59×10-24cm3; (11)Surface Tension: 38.4 dyne/cm; (12)Density: 1.126 g/cm3; (13)Flash Point: 147 °C; (14)Enthalpy of Vaporization: 56.11 kJ/mol; (15)Boiling Point: 319.5 °C at 760 mmHg; (16)Vapour Pressure: 0.000337 mmHg at 25°C.
You can still convert the following datas into molecular structure:
1.SMILES: Clc1ccc(cc1)C2NCCNC2
2.InChI: InChI=1/C10H13ClN2/c11-9-3-1-8(2-4-9)10-7-12-5-6-13-10/h1-4,10,12-13H,5-7H2
3.InChIKey: OTOVNNDSINVUBR-UHFFFAOYAI