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

Name
2-(1-Piperazinyl)-benzoic acid ethyl ester
EINECS
CAS No. 180417-98-5
Density 1.104 g/cm³
Solubility
Melting Point
Formula C₁₃H₁₈N₂O₂
Boiling Point 380.723 °C at 760 mmHg
Molecular Weight 234.2942
Flash Point 184.055 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 2-(1-Piperazinyl)-benzoic acid ethyl ester;Ethyl 2-(piperazin-1-yl)benzoate;
PSA 41.57000
LogP 1.66670

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

The Benzoic acid,2-(1-piperazinyl)-, ethyl ester, with the CAS registry number 180417-98-5, is also known as 2-(1-Piperazinyl)-benzoic acid ethyl ester. This chemical's molecular formula is C₁₃H₁₈N₂O₂ and molecular weight is 234.2942. What's more, its systematic name is called Ethyl 2-(piperazin-1-yl)benzoate.

Physical properties about Benzoic acid,2-(1-piperazinyl)-, ethyl ester are: (1)ACD/LogP: 1.00; (2)#of Rule of 5 Violations: 0; (3)ACD/LogD (pH 7.4): 1; (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): 15; (8)#H bond acceptors: 4; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 4; (11)Polar Surface Area: 41.57 Å²; (12)Index of Refraction: 1.537; (13)Molar Refractivity: 66.212 cm³; (14)Molar Volume: 212.134 cm³; (15)Polarizability: 26.248×10^-24 cm³; (16)Surface Tension: 39.827 dyne/cm; (17)Density: 1.104 g/cm³; (18)Flash Point: 184.055 °C; (19)Enthalpy of Vaporization: 62.891 kJ/mol; (20)Boiling Point: 380.723 °C at 760 mmHg; (21)Vapour Pressure: 0 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: CCOC(=O)c1ccccc1N2CCNCC2
(2) InChI: InChI=1/C13H18N2O2/c1-2-17-13(16)11-5-3-4-6-12(11)15-9-7-14-8-10-15/h3-6,14H,2,7-10H2,1H3
(3) InChIKey: GGJCDMYDZDZXHH-UHFFFAOYAS

Product Name

2-(1-Piperazinyl)-benzoic acid ethyl ester

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

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