Piperazine is an organic compound that consists of a six-membered ring containing two nitrogen atoms at opposite positions in the ring. 103-76-4, formula is C6H14N2O, Name is N-(2-Hydroxyethyl)piperazine. Piperazine exists as small alkaline deliquescent crystals with a saline taste. Product Details of C6H14N2O.
Chen, Xingmei;Dang, Limin;Yang, Hai;Huang, Xianwei;Yu, Xinliang research published 《 Machine learning-based prediction of toxicity of organic compounds towards fathead minnow》, the research content is summarized as follows. Predicting the acute toxicity of a large dataset of diverse chems. against fathead minnows (Pimephales promelas) is challenging. In this paper, 963 organic compounds with acute toxicity towards fathead minnows were split into a training set (482 compounds) and a test set (481 compounds) with an approx. ratio of 1 : 1. Only six mol. descriptors were used to establish the quant. structure-activity/toxicity relationship (QSAR/QSTR) model for 96 h pLC50 through a support vector machine (SVM) along with genetic algorithm. The optimal SVM model (R2 = 0.756) was verified using both internal (leave-one-out cross-validation) and external validations. The validation results (qint2 = 0.699 and qext2 = 0.744) were satisfactory in predicting acute toxicity in fathead minnows compared with other models reported in the literature, although our SVM model has only six mol. descriptors and a large data set for the test set consisting of 481 compounds
103-76-4, 1-(2-Hydroxyethyl)piperazine is a useful research compound. Its molecular formula is C6H14N2O and its molecular weight is 130.19 g/mol. The purity is usually 95%.
1-(2-Hydroxyethyl)piperazine is a chemical solvent that is used for the absorption of amines and other compounds. It has been shown to have a high affinity for acidic substances, which may be due to its ability to form hydrogen bonds with them. 1-(2-Hydroxyethyl)piperazine is also used in sample preparation for the analysis of amines and other compounds in fruit extracts. The solubility of 1-(2-Hydroxyethyl)piperazine depends on the experimental conditions, including pH, temperature, and pressure. FT-IR spectroscopy has been used to measure the vibrational modes of 1-(2-Hydroxyethyl)piperazine molecules. The IR spectrum revealed that this compound contains a hydroxyl group and two fatty acid chains with one or more hydroxyl groups at their terminal end. The nmr spectrum showed that 1-(2-Hydroxyethyl)piperazine contains an NH proton as well as, Product Details of C6H14N2O
Referemce:
Piperazine – Wikipedia,
Piperazines – an overview | ScienceDirect Topics