Benzoic acid,2-(4-methyl-1-piperazinyl)- supplier

Name
2-(4-METHYL-PIPERAZIN-1-YL)-BENZOIC ACID
EINECS
CAS No. 159589-70-5
Article Data2
CAS DataBase
Density 1.188 g/cm³
Solubility
Melting Point 67 °C
Formula C₁₂H₁₆N₂O₂
Boiling Point 372 °C at 760 mmHg
Molecular Weight 220.271
Flash Point 178.8 °C
Transport Information
Appearance
Safety
Risk Codes Xi:Harmful;
Molecular Structure
Hazard Symbols Xi
Synonyms 2-(4-Methyl-1-piperazinyl)benzoicacid;
PSA 43.78000
LogP 1.13950

Benzoic acid,2-(4-methyl-1-piperazinyl)- Specification

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

Product Name

2-(4-METHYL-PIPERAZIN-1-YL)-BENZOIC ACID

Benzoic acid,2-(4-methyl-1-piperazinyl)- Specification

Related Products

Hot Products