(1E)-4-(dimethylamino)benzaldehyde oxime

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/C9H12N2O/c1-11(2)9-5-3-8(4-6-9)7-10-12/h3-7,12H,1-2H3/b10-7+, and canonical SMILES descriptor[cheminf_000007]: O/N=C/c1ccc(cc1)N(C)C, and by the IUPAC name[cheminf_000107]: (NE)-N-[[4-(dimethylamino)phenyl]methylidene]hydroxylamine.

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-56945

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)

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

CHMO:0002541 | high-resolution electrospray ionisation time-of-flight mass spectrometry (HR-ESI-TOF-MS)

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 descriptor）[cheminf_000085]进行描述：
InChI描述符（InChI descriptor）[cheminf_000113]：InChI=1S/C9H12N2O/c1-11(2)9-5-3-8(4-6-9)7-10-12/h3-7,12H,1-2H3/b10-7+，以及规范SMILES描述符（canonical SMILES descriptor）[cheminf_000007]：O/N=C/c1ccc(cc1)N(C)C，还可通过IUPAC名称（IUPAC name）[cheminf_000107]描述为：(NE)-N-[[4-(二甲氨基)苯基]亚甲基]羟胺。
该物理化学实体[CHEBI_24431]含有组分溶剂（component solvent）[CHEBI_46787]，其由规范SMILES描述符[cheminf_000007]描述：
该物理化学实体[CHEBI_24431]在研究数据存储库chemotion（www.chemotion-repository.net，https://doi.org/10.25504/FAIRsharing.iagXcR）中注册的样本编号（Sample ID）为：CRS-56945。
该物理化学实体[CHEBI_24431]可通过以下物理描述符（physical descriptor）[CHEMINF_000025]进行表征：
熔点描述符（melting point descriptor）[CHEMINF_000256]：
沸点描述符（boiling point descriptor）[CHEMINF_000257]：
折射率描述符（refractive index descriptor）[CHEMINF_000253]：
该物理化学实体[CHEBI_24431]还可通过以下检测实验（assays）[OBI:0000070][CHMO:0001133]进行表征：
CHMO:0000593 | 氢核磁共振波谱（1H nuclear magnetic resonance spectroscopy，1H NMR）
CHMO:0000595 | 碳核磁共振波谱（13C nuclear magnetic resonance spectroscopy，13C NMR）
CHMO:0002541 | 高分辨电喷雾电离飞行时间质谱（high-resolution electrospray ionisation time-of-flight mass spectrometry，HR-ESI-TOF-MS）
该物理化学实体[CHEBI_24431]已存入卡尔斯鲁厄理工学院（KIT）分子档案库，其样本编号为：
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，即关于化学实体的信息实体，chemical information ontology）、CHMO（化学方法本体，Chemical Methods Ontology）、OBI（生物调查本体，Ontology for Biomedical Investigations）