five

C22H25N

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DataCite Commons2025-04-22 更新2025-05-10 收录
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https://www.chemotion-repository.net/inchikey/MVZQZJZNEJDERU-UHFFFAOYSA-N.1
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This is a physical chemical entity[CHEBI_24431] associated with a molecule[CHEBI_25367], while the molecule[CHEBI_25367] is only part of the composition and does not describe the chemical entity[CHEBI_24431] sufficiently. The molecule[CHEBI_25367] can be described by the following structural desciptors[cheminf_000085]: InChI descriptor[cheminf_000113]: InChI=1S/C22H25N/c1-16(22(2,3)15-23)21-14-19-9-8-17-4-6-18(7-5-17)10-12-20(21)13-11-19/h4-7,11,13-14,16H,8-10,12H2,1-3H3, and canonical SMILES descriptor[cheminf_000007]: N#CC(C(c1cc2ccc1CCc1ccc(CC2)cc1)C)(C)C, and by the IUPAC name[cheminf_000107]: . 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-43543 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]: BFO:0000015 | process CHMO:0001011 | gel filtration chromatography (GPC) CHMO:0001011 | gel filtration chromatography (GPC) CHMO:0001011 | gel filtration chromatography (GPC) 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:
2025-04-22
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