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diisopropyl 1-(tetrahydrofuran-2-yl)hydrazine-1,2-dicarboxylate

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DataCite Commons2025-02-19 更新2025-04-09 收录
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https://www.chemotion-repository.net/inchikey/VHGATYATBUGTFC-UHFFFAOYSA-N.1
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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/C12H22N2O5/c1-8(2)18-11(15)13-14(10-6-5-7-17-10)12(16)19-9(3)4/h8-10H,5-7H2,1-4H3,(H,13,15), and canonical SMILES descriptor[cheminf_000007]: CC(OC(=O)NN(C1CCCO1)C(=O)OC(C)C)C, and by the IUPAC name[cheminf_000107]: propan-2-yl N-(oxolan-2-yl)-N-(propan-2-yloxycarbonylamino)carbamate. The physical chemical entity[CHEBI_24431] has a component solvent[CHEBI_46787] which is described by the canonical SMILES descriptor[cheminf_000007]: 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-49942 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:0000595 | 13C nuclear magnetic resonance spectroscopy (13C NMR) CHMO:0000498 | high-resolution mass spectrometry (HRMS) 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
提供机构:
chemotion-repository
创建时间:
2025-02-19
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