C28H36CuF6N8P
收藏DataCite Commons2024-03-08 更新2025-04-09 收录
下载链接:
https://www.chemotion-repository.net/inchikey/UVLHGRADYISRGZ-UHFFFAOYSA-N.8
下载链接
链接失效反馈官方服务:
资源简介:
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/2C14H18N4.Cu.F6P/c2*1-17(2)14(18(3)4)16-12-9-5-7-11-8-6-10-15-13(11)12;;1-7(2,3,4,5)6/h2*5-10H,1-4H3;;/q;;+1;-1, and canonical SMILES descriptor[cheminf_000007]: F[P-](F)(F)(F)(F)F.CN(C(=Nc1cccc2c1nccc2)N(C)C)C.CN(C(=Nc1cccc2c1nccc2)N(C)C)C.[Cu+], and by the IUPAC name[cheminf_000107]: copper(1+);1,1,3,3-tetramethyl-2-quinolin-8-ylguanidine;hexafluorophosphate.
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-39220
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:0000025 | cyclic voltammetry (CV)
CHMO:0000025 | cyclic voltammetry (CV)
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[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]进行表征:
InChI描述符(InChI descriptor)[cheminf_000113]:InChI=1S/2C14H18N4.Cu.F6P/c2*1-17(2)14(18(3)4)16-12-9-5-7-11-8-6-10-15-13(11)12;;1-7(2,3,4,5)6/h2*5-10H,1-4H3;;/q;;+1;-1;标准SMILES描述符(canonical SMILES descriptor)[cheminf_000007]:F[P-](F)(F)(F)(F)F.CN(C(=Nc1cccc2c1nccc2)N(C)C)C.CN(C(=Nc1cccc2c1nccc2)N(C)C)C.[Cu+];其IUPAC命名(IUPAC name)[cheminf_000107]为:铜(1+);1,1,3,3-四甲基-2-喹啉-8-基胍;六氟磷酸根。
该物理化学实体[CHEBI_24431]含有组分溶剂[CHEBI_46787],该组分可通过标准SMILES描述符[cheminf_000007]进行表征:
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-39220。
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]还可通过以下分析测试方法(assays)[OBI:0000070][CHMO:0001133]进行表征:
CHMO:0000025 | 循环伏安法(cyclic voltammetry, CV)
CHMO:0000025 | 循环伏安法(cyclic voltammetry, CV)
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,其对应的样本编号为:
所用本体如下:
CHEBI:生物感兴趣化学实体(Chemical Entities of Biological Interest)本体
CHEMINF:化学信息本体(chemical information ontology,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)
提供机构:
chemotion-repository
创建时间:
2024-03-08



