4-N-(4-dimethylaminophenyl)amino[2.2]paracyclophane

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/C24H26N2/c1-26(2)23-15-13-22(14-16-23)25-24-17-20-8-7-18-3-5-19(6-4-18)9-11-21(24)12-10-20/h3-6,10,12-17,25H,7-9,11H2,1-2H3, and canonical SMILES descriptor[cheminf_000007]: CN(c1ccc(cc1)Nc1cc2CCc3ccc(CCc1cc2)cc3)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-37792

The physical chemical entity[CHEBI_24431] can be described by the physical descriptors [CHEMINF_000025]:
Melting point descriptor[CHEMINF_000256]: 130.0 - 133.0 (°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:0000563 | fast-atom bombardment mass spectrometry (FABMS)

CHMO:0000763 | attenuated total reflectance Fourier transform infrared spectroscopy (ATR-FTIR)

CHMO:0000593 | 1H nuclear magnetic resonance spectroscopy (1H NMR)

CHMO:0000595 | 13C nuclear magnetic resonance spectroscopy (13C NMR)

CHMO:0001146 | 1H--13C heteronuclear single quantum coherence (1H-13C HSQC)

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

本条目为与某分子（molecule）[CHEBI_25367]相关联的物理化学实体（physical chemical entity）[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/C24H26N2/c1-26(2)23-15-13-22(14-16-23)25-24-17-20-8-7-18-3-5-19(6-4-18)9-11-21(24)12-10-20/h3-6,10,12-17,25H,7-9,11H2,1-2H3；
标准SMILES描述符[cheminf_000007]：CN(c1ccc(cc1)Nc1cc2CCc3ccc(CCc1cc2)cc3)C；
此外还可通过IUPAC命名[cheminf_000107]表征（未提供具体名称）。

该物理化学实体[CHEBI_24431]包含一种溶剂组分（component solvent）[CHEBI_46787]，其可通过标准SMILES描述符[cheminf_000007]表征（原文未提供具体字符串）。

该物理化学实体[CHEBI_24431]在科研数据仓储chemotion（网址：www.chemotion-repository.net，DOI：10.25504/FAIRsharing.iagXcR）中登记的样本编号为：CRS-37792。

该物理化学实体[CHEBI_24431]可通过以下物理描述符[CHEMINF_000025]表征：
熔点描述符[CHEMINF_000256]：130.0 ~ 133.0 ℃；
沸点描述符[CHEMINF_000257]：未提供数据；
折射率描述符[CHEMINF_000253]：未提供数据。

该物理化学实体[CHEBI_24431]还可通过以下检测实验[OBI:0000070][CHMO:0001133]进行表征：
CHMO:0000563 | 快原子轰击质谱法（fast-atom bombardment mass spectrometry, FABMS）
CHMO:0000763 | 衰减全反射傅里叶变换红外光谱法（attenuated total reflectance Fourier transform infrared spectroscopy, ATR-FTIR）
CHMO:0000593 | 氢核磁共振波谱法（1H nuclear magnetic resonance spectroscopy, 1H NMR）
CHMO:0000595 | 碳核磁共振波谱法（13C nuclear magnetic resonance spectroscopy, 13C NMR）
CHMO:0001146 | 氢-碳异核单量子相干谱（1H-13C heteronuclear single quantum coherence, 1H-13C HSQC）

该物理化学实体[CHEBI_24431]已被存入卡尔斯鲁厄理工学院（Karlsruhe Institute of Technology, KIT）分子档案库，对应的样本编号为：（原文未提供具体编号）。

所用本体如下：
CHEBI：生物兴趣化学实体（Chemical Entities of Biological Interest）
CHEMINF：化学信息本体（用于描述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）