(4-bromophenyl)-bis(4-methoxyphenyl)amine

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/C20H18BrNO2/c1-23-19-11-7-17(8-12-19)22(16-5-3-15(21)4-6-16)18-9-13-20(24-2)14-10-18/h3-14H,1-2H3, and canonical SMILES descriptor[cheminf_000007]: COc1ccc(cc1)N(c1ccc(cc1)OC)c1ccc(cc1)Br, and by the IUPAC name[cheminf_000107]: N-(4-bromophenyl)-4-methoxy-N-(4-methoxyphenyl)aniline. 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-28329 The physical chemical entity[CHEBI_24431] can be described by the physical descriptors [CHEMINF_000025]: Melting point descriptor[CHEMINF_000256]: 101.0 (°C) 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) CHMO:0000595 | 13C nuclear magnetic resonance spectroscopy (13C NMR) CHMO:0001071 | heteronuclear single quantum coherence total correlation spectroscopy (HSQC-TOCSY) CHMO:0000470 | mass spectrometry (MS) CHMO:0000630 | infrared absorption spectroscopy (IR) 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

本实体为与某分子[CHEBI_25367]相关联的物理化学实体[CHEBI_24431]。该分子[CHEBI_25367]可通过以下结构描述符[cheminf_000085]进行表征：InChI描述符[cheminf_000113]：InChI=1S/C20H18BrNO2/c1-23-19-11-7-17(8-12-19)22(16-5-3-15(21)4-6-16)18-9-13-20(24-2)14-10-18/h3-14H,1-2H3；规范SMILES描述符[cheminf_000007]：COc1ccc(cc1)N(c1ccc(cc1)OC)c1ccc(cc1)Br；其IUPAC命名[cheminf_000107]：N-(4-溴苯基)-4-甲氧基-N-(4-甲氧基苯基)苯胺。该物理化学实体[CHEBI_24431]包含组分溶剂[CHEBI_46787]，该溶剂的规范SMILES描述符[cheminf_000007]：该物理化学实体[CHEBI_24431]在科研数据仓储chemotion（www.chemotion-repository.net，https://doi.org/10.25504/FAIRsharing.iagXcR）中登记的样本编号为：CRS-28329。该物理化学实体[CHEBI_24431]可通过以下物理描述符[CHEMINF_000025]：熔点描述符[CHEMINF_000256]：101.0（℃）；沸点描述符[CHEMINF_000257]：；折射率描述符[CHEMINF_000253]：。该物理化学实体[CHEBI_24431]还可通过以下检测方法[OBI:0000070][CHMO:0001133]：CHMO:0000593 | 1H核磁共振波谱法（1H NMR）；CHMO:0000595 | 13C核磁共振波谱法（13C NMR）；CHMO:0001071 | 异核单量子相干全相关光谱法（HSQC-TOCSY）；CHMO:0000470 | 质谱法（MS）；CHMO:0000630 | 红外吸收光谱法（IR）。该物理化学实体[CHEBI_24431]已存入卡尔斯鲁厄理工学院（KIT）的分子档案库，对应的样本编号为：所用本体包括：CHEBI - 生物感兴趣化学实体（Chemical Entities of Biological Interest）；CHEMINF - 化学信息本体（针对化学实体的信息实体）；CHMO - 化学方法本体（Chemical Methods Ontology）；OBI - 生物调查本体（Ontology for Biomedical Investigations）