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N-[2-[bis(2-pyridinylmethyl)amino]ethyl]carbamic acid tert-butyl ester

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DataCite Commons2025-05-28 更新2025-06-14 收录
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https://www.chemotion-repository.net/inchikey/XNHOHESJJMNLJC-UHFFFAOYSA-N
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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/C19H26N4O2/c1-19(2,3)25-18(24)22-12-13-23(14-16-8-4-6-10-20-16)15-17-9-5-7-11-21-17/h4-11H,12-15H2,1-3H3,(H,22,24), and canonical SMILES descriptor[cheminf_000007]: O=C(OC(C)(C)C)NCCN(Cc1ccccn1)Cc1ccccn1, and by the IUPAC name[cheminf_000107]: tert-butyl N-[2-[bis(pyridin-2-ylmethyl)amino]ethyl]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-53654 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
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chemotion-repository
创建时间:
2025-05-28
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