C22H25N
收藏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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资源简介:
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



