2-(2-aminoethyl)isoindole-1,3-dione;2,2,2-trifluoroacetic acid

This is a physical chemical entity[CHEBI_24431] associated with a molecule[CHEBI_25367]. The molecule[CHEBI_25367] can be described by the following structural desciptors[cheminf_000085]: InChI descriptor[cheminf_000113]: InChI=1S/C10H10N2O2.C2HF3O2/c11-5-6-12-9(13)7-3-1-2-4-8(7)10(12)14;3-2(4,5)1(6)7/h1-4H,5-6,11H2;(H,6,7), and canonical SMILES descriptor[cheminf_000007]: [O-]C(=O)C(F)(F)F.[NH3+]CCN1C(=O)c2c(C1=O)cccc2, and by the IUPAC name[cheminf_000107]: 2-(2-aminoethyl)isoindole-1,3-dione;2,2,2-trifluoroacetic acid. The physical chemical entity[CHEBI_24431] has a component solvent[CHEBI_46787] which is described by the canonical SMILES descriptor[cheminf_000007]: CC(O)=O The physical chemical entity[CHEBI_24431] has the following Sample ID as registered in the research data repository chemotion (www.chemotion-repository.net, https://doi.org/10.25504/FAIRsharing.iagXcR): CRS-23963 The physical chemical entity[CHEBI_24431] can be described by the physical descriptors [CHEMINF_000025]: Melting point descriptor[CHEMINF_000256]: Boiling point descriptor[CHEMINF_000257]: Refractive index descriptor[CHEMINF_000253]: The physical chemical entity[CHEBI_24431] can be further described by the following assays[OBI:0000070][CHMO:0001133]: CHMO:0000593 | 1H nuclear magnetic resonance spectroscopy (1H NMR) The physical chemical entity[CHEBI_24431] was deposited to the Molecule Archive of the Karlsruhe Insitute of Technology (KIT) with the following Sample ID: Used ontologies: CHEBI - Chemical Entities of Biological Interest CHEMINF - chemical information ontology (information entities about chemical entities) CHMO - Chemical Methods Ontology OBI - Ontology for Biomedical Investigations