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CAS No.: | 159589-70-5 |
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Name: | 2-(4-METHYL-PIPERAZIN-1-YL)-BENZOIC ACID |
Article Data: | 2 |
Molecular Structure: | |
Formula: | C12H16N2O2 |
Molecular Weight: | 220.271 |
Synonyms: | 2-(4-Methyl-1-piperazinyl)benzoicacid; |
Density: | 1.188 g/cm3 |
Melting Point: | 67 °C |
Boiling Point: | 372 °C at 760 mmHg |
Flash Point: | 178.8 °C |
Hazard Symbols: | Xi |
Risk Codes: | Xi:Harmful; "> Xi:Harmful; |
PSA: | 43.78000 |
LogP: | 1.13950 |
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The Benzoic acid,2-(4-methyl-1-piperazinyl)- is an organic compound with the formula C12H16N2O2. The systematic name of this chemical is 2-(4-Methylpiperazin-1-yl)benzoic acid. With the CAS registry number 159589-70-5, it is also named as 2-(4-Methyl-piperazin-1-yl)-benzoic acid. Besides, its molecular weight is 220.27.
Physical properties about Benzoic acid,2-(4-methyl-1-piperazinyl)- are: (1)ACD/LogP: 1.48; (2)ACD/LogD (pH 5.5): -1; (3)ACD/LogD (pH 7.4): -1.14; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 1; (7)ACD/KOC (pH 7.4): 1; (8)#H bond acceptors: 4; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 2; (11)Polar Surface Area: 32.78 Å2; (12)Index of Refraction: 1.579; (13)Molar Refractivity: 61.66 cm3; (14)Molar Volume: 185.2 cm3; (15)Polarizability: 24.44×10-24 cm3; (16)Surface Tension: 47.9 dyne/cm; (17)Density: 1.188 g/cm3; (18)Flash Point: 178.8 °C; (19)Enthalpy of Vaporization: 65.31 kJ/mol; (20)Boiling Point: 372 °C at 760 mmHg; (21)Vapour Pressure: 3.42E-06 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1)InChI: InChI=1/C12H16N2O2/c1-13-6-8-14(9-7-13)11-5-3-2-4-10(11)12(15)16/h2-5H,6-9H2,1H3,(H,15,16)
(2)InChIKey: WKGFDTBUUBBWJZ-UHFFFAOYAN
(3)Std. InChI: InChI=1S/C12H16N2O2/c1-13-6-8-14(9-7-13)11-5-3-2-4-10(11)12(15)16/h2-5H,6-9H2,1H3,(H,15,16)
(4)Std. InChIKey: WKGFDTBUUBBWJZ-UHFFFAOYSA-N