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

Name
2-PIPERAZIN-1-YL-BENZOIC ACID METHYL ESTER
EINECS
CAS No. 159974-63-7
Article Data5
CAS DataBase
Density 1.126 g/cm³
Solubility
Melting Point
Formula C₁₂H₁₆N₂O₂
Boiling Point 368.326 °C at 760 mmHg
Molecular Weight 220.271
Flash Point 176.558 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 2-Piperazin-1-yl-benzoic acid methyl ester;Methyl 2-piperazin-1-ylbenzoate;
PSA 41.57000
LogP 1.27660

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

The Benzoic acid,2-(1-piperazinyl)-, methyl ester, with the CAS registry number 159974-63-7, is also known as 2-Piperazin-1-yl-benzoic acid methyl ester. It belongs to the product category of Pharmacetical. This chemical's molecular formula is C₁₂H₁₆N₂O₂ and molecular weight is 220.27. What's more, both its IUPAC name and systematic name are the same which is called Methyl 2-piperazin-1-ylbenzoate.

Physical properties about Benzoic acid,2-(1-piperazinyl)-, methyl ester are: (1)ACD/LogP: 0.49; (2)#of Rule of 5 Violations: 0; (3)ACD/LogD (pH 7.4): 0; (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): 8; (8)#H bond acceptors: 4; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 3; (11)Polar Surface Area: 41.57 Å²; (12)Index of Refraction: 1.542; (13)Molar Refractivity: 61.579 cm³; (14)Molar Volume: 195.627 cm³; (15)Polarizability: 24.412×10^-24 cm³; (16)Surface Tension: 40.281 dyne/cm; (17)Density: 1.126 g/cm³; (18)Flash Point: 176.558 °C; (19)Enthalpy of Vaporization: 61.497 kJ/mol; (20)Boiling Point: 368.326 °C at 760 mmHg; (21)Vapour Pressure: 0 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C(OC)c1ccccc1N2CCNCC2
(2) InChI: InChI=1/C12H16N2O2/c1-16-12(15)10-4-2-3-5-11(10)14-8-6-13-7-9-14/h2-5,13H,6-9H2,1H3
(3) InChIKey: XGNPSKXFPSPTDE-UHFFFAOYAI

Product Name

2-PIPERAZIN-1-YL-BENZOIC ACID METHYL ESTER

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

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