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CAS No.: | 54711-70-5 |
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Name: | 1-(3-Chloro-2-methylphenyl)piperazine |
Article Data: | 4 |
Molecular Structure: | |
Formula: | C11H15ClN2 |
Molecular Weight: | 210.706 |
Synonyms: | (3-Chloro-2-methylphenyl)piperazine;1-(3-Chloro-o-tolyl)piperazine; |
Density: | 1.133 g/cm3 |
Boiling Point: | 347.4 °C at 760 mmHg |
Flash Point: | 163.9 °C |
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The Piperazine, 1-(3-chloro-2-methylphenyl)-, with the CAS registry number 54711-70-5, is also known as (3-Chloro-2-methylphenyl)piperazine. This chemical's molecular formula is C11H15ClN2 and molecular weight is 210.70. What's more, its systematic name is 1-(3-chloro-2-methylphenyl)piperazine.
Physical properties of Piperazine, 1-(3-chloro-2-methylphenyl)- are: (1)ACD/LogP: 2.53; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 2; (4)#H bond donors: 1; (5)#Freely Rotating Bonds: 1; (6)Polar Surface Area: 6.48 Å2; (7)Index of Refraction: 1.553; (8)Molar Refractivity: 59.52 cm3; (9)Molar Volume: 185.9 cm3; (10)Polarizability: 23.59×10-24cm3; (11)Surface Tension: 38.8 dyne/cm; (12)Density: 1.133 g/cm3; (13)Flash Point: 163.9 °C; (14)Enthalpy of Vaporization: 59.16 kJ/mol; (15)Boiling Point: 347.4 °C at 760 mmHg; (16)Vapour Pressure: 5.4E-05 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: Clc1c(c(ccc1)N2CCNCC2)C
(2)InChI: InChI=1S/C11H15ClN2/c1-9-10(12)3-2-4-11(9)14-7-5-13-6-8-14/h2-4,13H,5-8H2,1H3
(3)InChIKey: XSWFFTOMNHATMS-UHFFFAOYSA-N