2-[[(2-hydroxy-5-methyl-phenyl)methyl-methyl-amino]methyl]-4-methyl-phenol结构式
|
常用名 | 2-[[(2-hydroxy-5-methyl-phenyl)methyl-methyl-amino]methyl]-4-methyl-phenol | 英文名 | 2-[[(2-hydroxy-5-methyl-phenyl)methyl-methyl-amino]methyl]-4-methyl-phenol |
|---|---|---|---|---|
| CAS号 | 3534-25-6 | 分子量 | 271.35400 | |
| 密度 | 1.149g/cm3 | 沸点 | 404.2ºC at 760 mmHg | |
| 分子式 | C17H21NO2 | 熔点 | N/A | |
| MSDS | N/A | 闪点 | 192.9ºC |
本表展示该化学物质的中文名称、英文系统名、各类中文与英文别名信息。
| 英文名 | 2-[[(2-hydroxy-5-methylphenyl)methyl-methylamino]methyl]-4-methylphenol |
|---|---|
| 英文别名 | 更多 |
本表包含该物质理化参数,如熔点、沸点、密度、溶解度、旋光性等理化指标,无数据项标记为N/A。
| 密度 | 1.149g/cm3 |
|---|---|
| 沸点 | 404.2ºC at 760 mmHg |
| 分子式 | C17H21NO2 |
| 分子量 | 271.35400 |
| 闪点 | 192.9ºC |
| 精确质量 | 271.15700 |
| PSA | 43.70000 |
| LogP | 3.34660 |
| InChIKey | PYTRMEMFWBKJEC-UHFFFAOYSA-N |
| SMILES | Cc1ccc(O)c(CN(C)Cc2cc(C)ccc2O)c1 |
| 折射率 | 1.611 |
本表记录该化合物安全警示、防护措施、禁配物、处置方式等安全相关参考信息。
| 海关编码 | 2922299090 |
|---|
本表提供该化合物公开报道的合成路线、反应条件、反应物与产物参考信息。
|
~90%
2-[[(2-hydroxy-... 3534-25-6 |
| 文献:Chirachanchai, Suwabun; Laobuthee, Apirat; Phongtamrug, Suttinun Journal of Heterocyclic Chemistry, 2009 , vol. 46, # 4 p. 714 - 721 |
本表列出该化学品对应的上游起始原料以及下游衍生产物清单。
| 上游产品 2 | |
|---|---|
| 下游产品 0 | |
本表展示该化学品海关编码、关税、监管条件等进出口海关参考数据。
| 海关编码 | 2922299090 |
|---|---|
| 中文概述 | 2922299090. 其他氨基(萘酚、酚)及醚、酯〔包括它们的盐, 但含有一种以上含氧基的除外〕. 增值税率:17.0%. 退税率:13.0%. 监管条件:无. 最惠国关税:6.5%. 普通关税:30.0% |
| 申报要素 | 品名, 成分含量, 用途, 乙醇胺及其盐应报明色度, 乙醇胺及其盐应报明包装 |
| Summary | 2922299090. other amino-naphthols and other amino-phenols, other than those containing more than one kind of oxygen function, their ethers and esters; salts thereof. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:30.0% |
本表记录该化合物靶点、体外体内实验、生物测定实验相关实验数据。
|
实验名称:Luminescence-based cell-based primary high throughput screening assay to identify ago...
来源:The Scripps Research Institute Molecular Screening Center
靶标:mu-type opioid receptor isoform MOR-1 [Homo sapiens]
External Id:OPRM1-OPRD1_AG_LUMI_1536_1X%ACT PRUN
|
|
实验名称:QFRET-based biochemical primary high throughput screening assay to identify exosite i...
来源:The Scripps Research Institute Molecular Screening Center
靶标:disintegrin and metalloproteinase domain-containing protein 17 preproprotein [Homo sapiens]
External Id:ADAM17_INH_QFRET_1536_1X%INH PRUN
|
|
实验名称:Fluorescence-based cell-based primary high throughput screening assay to identify ago...
来源:The Scripps Research Institute Molecular Screening Center
靶标:muscarinic acetylcholine receptor M1 [Homo sapiens]
External Id:CHRM1_AG_FLUO8_1536_1X%ACT PRUN
|
|
实验名称:qHTS for Inhibitors of human tyrosyl-DNA phosphodiesterase 1 (TDP1): qHTS in cells in...
来源:NCGC
靶标:TDP1 protein [Homo sapiens]
External Id:TDP1100
|
|
实验名称:qHTS for Inhibitors of human tyrosyl-DNA phosphodiesterase 1 (TDP1): qHTS in cells in...
来源:NCGC
靶标:TDP1 protein [Homo sapiens]
External Id:TDP1101
|
|
实验名称:Schnurri-3 Inhibitors: specific inducers of adult bone formation Measured in Cell-Bas...
来源:Broad Institute
靶标:N/A
External Id:2134-01_Inhibitor_SinglePoint_HTS_Activity_Set2
|
|
实验名称:Fluorescence polarization to screen for inhibitor that competite the binding of FadD2...
来源:Broad Institute
靶标:FATTY-ACID-CoA LIGASE FADD28 (FATTY-ACID-CoA SYNTHETASE)
External Id:2147-01_Inhibitor_SinglePoint_HTS_Activity
|
|
实验名称:High throughput screen for small molecule inhibitors of a hypoxia-regulated fluoresce...
来源:ICCB-Longwood/NSRB Screening Facility, Harvard Medical School
靶标:N/A
External Id:HMS1149-MLP
|
|
实验名称:Primary Screen Inhibitors of CD40 Signaling in BL2 Cells Measured in Cell-Based Syste...
来源:Broad Institute
靶标:N/A
External Id:7124-01_Inhibitor_SinglePoint_HTS_Activity
|
|
实验名称:qHTS for Inhibitors of AMA1-RON; Towards Development of Antimalarial Drug Lead: Prima...
来源:NCGC
靶标:apical membrane antigen 1, AMA1 [Plasmodium falciparum 3D7]
External Id:AMA1100
|
本表罗列该化合物全部英文别名、系统命名、CAS别名等英文名称集合。
| N,N-Bis-(2-hydroxy-5-methyl-benzyl)-methylamin |
| HMS3086O19 |
| 2,2'-[(methylimino)dimethanediyl]bis(4-methylphenol) |
| N,N-bis(2-hydroxy-5-methylbenzyl)methylamine |
| 2,2'-[(methylimino)di(methylene)]bis(4-methylphenol) |
| 2-({[(2-hydroxy-5-methylphenyl)methyl](methyl)amino}methyl)-4-methylphenol |
本部分为该化合物相关常见问答,包含基础参数、性状、储存条件等高频咨询问题与对应答案。
| Q: 3534-25-6的英文名称是什么? |
| A: 3534-25-6英文名称为2-[[(2-hydroxy-5-methylphenyl)methyl-methylamino]methyl]-4-methylphenol。 |
| Q: 3534-25-6的分子式是什么? |
| A: 3534-25-6分子式为C17H21NO2。 |
| Q: 3534-25-6的分子量是多少? |
| A: 3534-25-6分子量为271.35400。 |
| Q: 3534-25-6的中文名称是什么? |
| A: 3534-25-6的中文名称为3534-25-6。 |
| Q: 3534-25-6的LogP(油水分配系数)是多少? |
| A: 3534-25-6LogP(油水分配系数)为3.34660。 |
| Q: 3534-25-6的SMILES表达式是什么? |
| A: 3534-25-6SMILES表达式为Cc1ccc(O)c(CN(C)Cc2cc(C)ccc2O)c1。 |
| Q: 3534-25-6的极性表面积PSA是多少? |
| A: 3534-25-6极性表面积PSA为43.70000。 |
| Q: 3534-25-6的InChIKey是什么? |
| A: 3534-25-6InChIKey为PYTRMEMFWBKJEC-UHFFFAOYSA-N。 |
| Q: 3534-25-6的CAS号是多少? |
| A: 3534-25-6CAS号为3534-25-6。 |
| Q: 3534-25-6有哪些英文别名? |
| A: 3534-25-6英文别名有:N,N-Bis-(2-hydroxy-5-methyl-benzyl)-methylamin、 HMS3086O19、 2,2'-[(methylimino)dimethanediyl]bis(4-methylphenol)、 N,N-bis(2-hydroxy-5-methylbenzyl)methylamine、 2,2'-[(methylimino)di(methylene)]bis(4-methylphenol)、 2-({[(2-hydroxy-5-methylphenyl)methyl](methyl)amino}methyl)-4-methylphenol。 |