1-(2,2,4-trimethylquinolin-1-yl)ethanone结构式
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常用名 | 1-(2,2,4-trimethylquinolin-1-yl)ethanone | 英文名 | 1-(2,2,4-trimethylquinolin-1-yl)ethanone |
|---|---|---|---|---|
| CAS号 | 5855-23-2 | 分子量 | 215.29100 | |
| 密度 | N/A | 沸点 | N/A | |
| 分子式 | C14H17NO | 熔点 | N/A | |
| MSDS | N/A | 闪点 | N/A |
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 | 1-(2,2,4-trimethylquinolin-1-yl)ethanone |
|---|---|
| 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。
| 分子式 | C14H17NO |
|---|---|
| 分子量 | 215.29100 |
| 精确质量 | 215.13100 |
| PSA | 20.31000 |
| LogP | 3.30000 |
| InChIKey | NTEBDFQFERUHKG-UHFFFAOYSA-N |
| SMILES | CC(=O)N1c2ccccc2C(C)=CC1(C)C |
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 | 2933499090 |
|---|
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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1-(2,2,4-trimet... 5855-23-2 |
| 文献:Murray; Short; Stansfield Journal of the American Chemical Society, 1933 , vol. 55, p. 2805 |
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1-(2,2,4-trimet... 5855-23-2 |
| 文献:Cliffe Journal of the Chemical Society, 1933 , p. 1327 Full Text Show Details Reddelien; Thurm Chemische Berichte, 1932 , vol. 65, p. 1513 |
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 | 2933499090 |
|---|---|
| 中文概述 | 2933499090. 其他含喹琳或异喹啉环系的化合物〔但未进一步稠合的〕. 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 | 2933499090. other compounds containing in the structure a quinoline or isoquinoline ring-system (whether or not hydrogenated), not further fused. 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: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:Flow Cytometric HTS Screen for inhibitors of the ABC transporter ABCB6 for Validation...
来源:NMMLSC
靶标:ATP-binding cassette sub-family B member 6, mitochondrial [Homo sapiens]
External Id:UNMCMD_ABCB6_1o_ValidationSet
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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。
| 1-Acetyl-2,2,4-trimethyl-1,2-dihydo-chinolin |
| 1-acetyl-2,2,4-trimethyl-1,2-dihydro-quinoline |
| 1-Acetyl-2,2,4-trimethyl-1,2-dihydro-chinolin |
| 1-acetyl-2,2,4-trimethyl-[2H]-dihydroquinoline |
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: 5855-23-2的SMILES表达式是什么? |
| A: 5855-23-2SMILES表达式为CC(=O)N1c2ccccc2C(C)=CC1(C)C。 |
| Q: 5855-23-2的中文名称是什么? |
| A: 5855-23-2的中文名称为5855-23-2。 |
| Q: 5855-23-2的极性表面积PSA是多少? |
| A: 5855-23-2极性表面积PSA为20.31000。 |
| Q: 5855-23-2有哪些英文别名? |
| A: 5855-23-2英文别名有:1-Acetyl-2,2,4-trimethyl-1,2-dihydo-chinolin、 1-acetyl-2,2,4-trimethyl-1,2-dihydro-quinoline、 1-Acetyl-2,2,4-trimethyl-1,2-dihydro-chinolin、 1-acetyl-2,2,4-trimethyl-[2H]-dihydroquinoline。 |
| Q: 5855-23-2的InChIKey是什么? |
| A: 5855-23-2InChIKey为NTEBDFQFERUHKG-UHFFFAOYSA-N。 |
| Q: 5855-23-2的英文名称是什么? |
| A: 5855-23-2英文名称为1-(2,2,4-trimethylquinolin-1-yl)ethanone。 |
| Q: 5855-23-2的LogP(油水分配系数)是多少? |
| A: 5855-23-2LogP(油水分配系数)为3.30000。 |
| Q: 5855-23-2的分子量是多少? |
| A: 5855-23-2分子量为215.29100。 |
| Q: 5855-23-2的CAS号是多少? |
| A: 5855-23-2CAS号为5855-23-2。 |
| Q: 5855-23-2的分子式是什么? |
| A: 5855-23-2分子式为C14H17NO。 |