tris(2-aminophenyl)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/C18H18N4/c19-13-7-1-4-10-16(13)22(17-11-5-2-8-14(17)20)18-12-6-3-9-15(18)21/h1-12H,19-21H2, and canonical SMILES descriptor[cheminf_000007]: Nc1ccccc1N(c1ccccc1N)c1ccccc1N, and by the IUPAC name[cheminf_000107]: 2-N,2-N-bis(2-aminophenyl)benzene-1,2-diamine.

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-46532

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

本数据集所涉对象为一个与分子（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（structural descriptors）[CHEMINF_000085]表征：
InChI描述符（InChI descriptor）[CHEMINF_000113]：InChI=1S/C18H18N4/c19-13-7-1-4-10-16(13)22(17-11-5-2-8-14(17)20)18-12-6-3-9-15(18)21/h1-12H,19-21H2；
标准SMILES描述符（canonical SMILES descriptor）[CHEMINF_000007]：Nc1ccccc1N(c1ccccc1N)c1ccccc1N；
其IUPAC命名（IUPAC name）[CHEMINF_000107]：2-N,2-N-二(2-氨基苯基)苯-1,2-二胺。

该物理化学实体[CHEBI_24431]含有一种组分溶剂（component solvent）[CHEBI_46787]，其标准SMILES描述符[CHEMINF_000007]为：

该物理化学实体[CHEBI_24431]在科研数据仓库（research data repository）chemotion（网址：www.chemotion-repository.net，DOI链接：https://doi.org/10.25504/FAIRsharing.iagXcR）中登记的样本编号为：CRS-46532。

该物理化学实体[CHEBI_24431]可通过以下物理描述符（physical descriptors）[CHEMINF_000025]表征：
熔点描述符（melting point descriptor）[CHEMINF_000256]：无相关数据；
沸点描述符（boiling point descriptor）[CHEMINF_000257]：无相关数据；
折射率描述符（refractive index descriptor）[CHEMINF_000253]：无相关数据。

该物理化学实体[CHEBI_24431]还可通过以下检测实验（assays）[OBI:0000070][CHMO:0001133]表征：
CHMO:0000593 | 氢核磁共振波谱（1H nuclear magnetic resonance spectroscopy, 1H NMR）

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）的分子档案库（Molecule Archive），其样本编号为：

所用本体如下：
CHEBI：生物感兴趣的化学实体（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：生物医学调查本体（Ontology for Biomedical Investigations）