3-[(E)-3-(4-bromophenyl)prop-2-enoyl]-4,6-dimethyl-1H-pyridin-2-one结构式
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常用名 | 3-[(E)-3-(4-bromophenyl)prop-2-enoyl]-4,6-dimethyl-1H-pyridin-2-one | 英文名 | 3-[(E)-3-(4-bromophenyl)prop-2-enoyl]-4,6-dimethyl-1H-pyridin-2-one |
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| CAS号 | 5255-68-5 | 分子量 | 215.24800 | |
| 密度 | 1.408g/cm3 | 沸点 | 526.2ºC at 760 mmHg | |
| 分子式 | C13H13NO2 | 熔点 | N/A | |
| MSDS | N/A | 闪点 | 272ºC |
摘要:ethyl naphthalen-1-ylcarbamate(1-乙基萘羰基乙酸酯)的CAS号为5255-68-5,分子式为C13H13NO2,分子量为215.24800。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 | ethyl naphthalen-1-ylcarbamate |
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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 | 1.408g/cm3 |
|---|---|
| 沸点 | 526.2ºC at 760 mmHg |
| 分子式 | C13H13NO2 |
| 分子量 | 215.24800 |
| 闪点 | 272ºC |
| 精确质量 | 215.09500 |
| PSA | 38.33000 |
| LogP | 3.48120 |
| InChIKey | ARNSTSIXMKZQBC-UHFFFAOYSA-N |
| SMILES | CCOC(=O)Nc1cccc2ccccc12 |
| 折射率 | 1.62 |
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 | 2924299090 |
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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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~10%
3-[(E)-3-(4-bro... 5255-68-5 |
| 文献:Marzaro, Giovanni; Chilin, Adriana; Pastorini, Giovanni; Guiotto, Adriano Organic Letters, 2006 , vol. 8, # 2 p. 255 - 256 |
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~93%
3-[(E)-3-(4-bro... 5255-68-5 |
| 文献:Parfenov, E. A.; Fomin, V. A. J. Gen. Chem. USSR (Engl. Transl.), 1981 , vol. 51, # 5 p. 1144 - 1153,961 - 968 |
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~72%
3-[(E)-3-(4-bro... 5255-68-5 |
| 文献:Kita, Yasuyuki; Haruta, Jun-ichi; Tagawa, Hiroko; Tamura, Yasumitsu Journal of Organic Chemistry, 1980 , vol. 45, # 22 p. 4519 - 4522 |
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~%
3-[(E)-3-(4-bro... 5255-68-5 |
| 文献:Whitehead; Traverso Journal of the American Chemical Society, 1955 , vol. 77, p. 5872,5875 |
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~%
3-[(E)-3-(4-bro... 5255-68-5 |
| 文献:Whitehead; Traverso Journal of the American Chemical Society, 1955 , vol. 77, p. 5872,5875 |
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~67%
3-[(E)-3-(4-bro... 5255-68-5
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| 文献:Takeuchi, Hiroshi; Mastubara, Eiji Journal of the Chemical Society, Perkin Transactions 1: Organic and Bio-Organic Chemistry (1972-1999), 1984 , # 5 p. 981 - 985 |
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~%
3-[(E)-3-(4-bro... 5255-68-5 |
| 文献:Dyer,E.; Read,R.E. Journal of Organic Chemistry, 1961 , vol. 26, p. 4388 - 4394 |
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~%
3-[(E)-3-(4-bro... 5255-68-5 |
| 文献:Schubert Journal of Biological Chemistry, 1937 , vol. 121, p. 539,543 |
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~%
3-[(E)-3-(4-bro... 5255-68-5 |
| 文献:Chauhan,M.S.; Cooke,R.G. Australian Journal of Chemistry, 1970 , vol. 23, p. 2133 - 2140 |
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 10 | |
|---|---|
| 下游产品 3 | |
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 | 2924299090 |
|---|---|
| 中文概述 | 2924299090. 其他环酰胺(包括环氨基甲酸酯)(包括其衍生物以及他们的盐). 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, 包装 |
| Summary | 2924299090. other cyclic amides (including cyclic carbamates) and their derivatives; 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。
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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:A screen for compounds that inhibit the activity of LtaS in Staphylococcus aureus
来源:ICCB-Longwood/NSRB Screening Facility, Harvard Medical School
External Id:HMS979
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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: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
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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: 5255-68-5的SMILES表达式是什么? |
| A: 5255-68-5SMILES表达式为CCOC(=O)Nc1cccc2ccccc12。 |
| Q: 5255-68-5的CAS号是多少? |
| A: 5255-68-5CAS号为5255-68-5。 |
| Q: 5255-68-5的LogP(油水分配系数)是多少? |
| A: 5255-68-5LogP(油水分配系数)为3.48120。 |
| Q: 5255-68-5的沸点是多少? |
| A: 5255-68-5沸点为526.2ºC at 760 mmHg。 |
| Q: 5255-68-5的InChIKey是什么? |
| A: 5255-68-5InChIKey为ARNSTSIXMKZQBC-UHFFFAOYSA-N。 |
| Q: 5255-68-5的分子量是多少? |
| A: 5255-68-5分子量为215.24800。 |
| Q: 5255-68-5的下游产品有哪些? |
| A: 5255-68-5相关下游产品(CAS):86-84-0;954-43-8;607-56-7。 |
| Q: 5255-68-5的中文名称是什么? |
| A: 5255-68-5的中文名称为5255-68-5。 |
| Q: 5255-68-5的英文名称是什么? |
| A: 5255-68-5英文名称为ethyl naphthalen-1-ylcarbamate。 |
| Q: 5255-68-5的分子式是什么? |
| A: 5255-68-5分子式为C13H13NO2。 |