1H-indol-3-yl-(4-methoxyphenyl)methanone结构式
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常用名 | 1H-indol-3-yl-(4-methoxyphenyl)methanone | 英文名 | 1H-indol-3-yl-(4-methoxyphenyl)methanone |
|---|---|---|---|---|
| CAS号 | 22051-15-6 | 分子量 | 251.28000 | |
| 密度 | 1.231g/cm3 | 沸点 | 465.2ºC at 760mmHg | |
| 分子式 | C16H13NO2 | 熔点 | N/A | |
| MSDS | N/A | 闪点 | 235.2ºC |
摘要:1H-吲哚-3-基-(4-甲氧基苯基)甲酮(英文名称:1H-indol-3-yl-(4-methoxyphenyl)methanone,CAS号:22051-15-6),分子式:C16H13NO2,分子量:251.28。仅供科研实验参考,不作为医疗诊断与用药依据。
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 | 1H-indol-3-yl-(4-methoxyphenyl)methanone |
|---|
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 | 1.231g/cm3 |
|---|---|
| 沸点 | 465.2ºC at 760mmHg |
| 分子式 | C16H13NO2 |
| 分子量 | 251.28000 |
| 闪点 | 235.2ºC |
| 精确质量 | 251.09500 |
| PSA | 42.09000 |
| LogP | 3.40750 |
| InChIKey | KLNHIIYKFBCQQB-UHFFFAOYSA-N |
| SMILES | COc1ccc(C(=O)c2c[nH]c3ccccc23)cc1 |
| 蒸汽压 | 7.83E-09mmHg at 25°C |
| 折射率 | 1.656 |
本表汇总该化学品毒理试验数据、急性慢性毒性以及环境生态危害相关参数。
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 | 2933990090 |
|---|
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。
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~77%
1H-indol-3-yl-(... 22051-15-6 |
| 文献:Gu, Li-Jun; Liu, Ji-Yan; Zhang, Li-Zhu; Xiong, Yong; Wang, Rui Chinese Chemical Letters, 2014 , vol. 25, # 1 p. 90 - 92 |
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~89%
1H-indol-3-yl-(... 22051-15-6 |
| 文献:Lai, Qiu Yu; Liao, Rong Su; Wu, Shao Yong; Zhang, Jia Xin; Duan, Xin Hong New Journal of Chemistry, 2013 , vol. 37, # 12 p. 4069 - 4076 |
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~42%
1H-indol-3-yl-(... 22051-15-6 |
| 文献:QUEEN'S UNIVERSITY AT KINGSTON Patent: WO2008/58402 A1, 2008 ; Location in patent: Page/Page column 94-95 ; |
|
~56%
1H-indol-3-yl-(... 22051-15-6 |
| 文献:Ienaga; Kazuharu; Nakamura; Ko Patent: US4708961 A1, 1987 ; |
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~71%
1H-indol-3-yl-(... 22051-15-6 |
| 文献:Ma, Yuanhong; You, Jingsong; Song, Feijie Chemistry - A European Journal, 2013 , vol. 19, # 4 p. 1189 - 1193 |
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~%
1H-indol-3-yl-(... 22051-15-6 |
| 文献:Buu-Hoi et al. Journal of the Chemical Society, 1957 , p. 625,627 |
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 | 2933990090 |
|---|---|
| 中文概述 | 2933990090. 其他仅含氮杂原子的杂环化合物. 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:20.0% |
| 申报要素 | 品名, 成分含量, 用途, 乌洛托品请注明外观, 6-己内酰胺请注明外观, 签约日期 |
| Summary | 2933990090. heterocyclic compounds with nitrogen hetero-atom(s) only. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0% |
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。
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实验名称:Primary cell-based high-throughput screening assay for identification of compounds th...
来源:Johns Hopkins Ion Channel Center
靶标:regulator of G-protein signaling 4 isoform 2 [Homo sapiens]
External Id:JHICC_RGS_Act_HTS
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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
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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
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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
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实验名称:uHTS identification of small molecule activators of the adaptive arm of the Unfolded ...
来源:Burnham Center for Chemical Genomics
靶标:N/A
External Id:BCCG-A405-UPR-XBP1-PrimaryAgonist-Assay
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实验名称:High throughput fluorescence intensity-based biochemical assay to screen for small mo...
来源:University of Pittsburgh Molecular Library Screening Center
靶标:furin (paired basic amino acid cleaving enzyme), isoform CRA_a [Homo sapiens]
External Id:MH080376 Biochemical HTS for Inhibitors of the Proprotein Convertase Furin.
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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
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实验名称:Bursicon-induced LGR2 mediated cAMP production in LGR-2/CRE6x-Luciferase co-transfect...
来源:Broad Institute
靶标:N/A
External Id:Bursicon-induced LGR2 mediated cAMP production in LGR-2/CRE6x-Luciferase co-transfected HEK293 cells Inhibition - 7011-01_Antagonist_SinglePoint_HTS_Activity
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实验名称:Fluorescence-based cell-based primary high throughput screening assay to identify pos...
来源:The Scripps Research Institute Molecular Screening Center
靶标:muscarinic acetylcholine receptor M1 [Homo sapiens]
External Id:CHRM1_PAM_FLUO8_1536_1X%ACT PRUN
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实验名称:Fluorescence polarization-based biochemical high throughput primary assay to identify...
来源:The Scripps Research Institute Molecular Screening Center
靶标:RecName: Full=Sialate O-acetylesterase; AltName: Full=H-Lse; AltName: Full=Sialic acid-specific 9-O-acetylesterase; Flags: Precursor [Homo sapiens]
External Id:SIAE_INH_FP_1536_1X%INH PRUN
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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: 22051-15-6的极性表面积PSA是多少? |
| A: 22051-15-6极性表面积PSA为42.09000。 |
| Q: 22051-15-6的SMILES表达式是什么? |
| A: 22051-15-6SMILES表达式为COc1ccc(C(=O)c2c[nH]c3ccccc23)cc1。 |
| Q: 22051-15-6的分子式是什么? |
| A: 22051-15-6分子式为C16H13NO2。 |
| Q: 22051-15-6的CAS号是多少? |
| A: 22051-15-6CAS号为22051-15-6。 |
| Q: 22051-15-6的中文名称是什么? |
| A: 22051-15-6的中文名称为22051-15-6。 |
| Q: 22051-15-6的沸点是多少? |
| A: 22051-15-6沸点为465.2ºC at 760mmHg。 |
| Q: 22051-15-6的LogP(油水分配系数)是多少? |
| A: 22051-15-6LogP(油水分配系数)为3.40750。 |
| Q: 22051-15-6的英文名称是什么? |
| A: 22051-15-6英文名称为1H-indol-3-yl-(4-methoxyphenyl)methanone。 |
| Q: 22051-15-6的InChIKey是什么? |
| A: 22051-15-6InChIKey为KLNHIIYKFBCQQB-UHFFFAOYSA-N。 |
| Q: 22051-15-6的分子量是多少? |
| A: 22051-15-6分子量为251.28000。 |