2-氨基喹啉-3-甲腈结构式
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常用名 | 2-氨基喹啉-3-甲腈 | 英文名 | 3-Quinolinecarbonitrile,2-amino |
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| CAS号 | 31407-25-7 | 分子量 | 169.18300 | |
| 密度 | 1.29g/cm3 | 沸点 | 387.2ºC at 760mmHg | |
| 分子式 | C10H7N3 | 熔点 | N/A | |
| MSDS | 美版 | 闪点 | 188ºC |
| 中文名 | 2-胺喹啉-3-甲腈 |
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| 英文名 | 2-Aminoquinoline-3-carbonitrile |
| 英文别名 | 更多 |
| 密度 | 1.29g/cm3 |
|---|---|
| 沸点 | 387.2ºC at 760mmHg |
| 分子式 | C10H7N3 |
| 分子量 | 169.18300 |
| 闪点 | 188ºC |
| 精确质量 | 169.06400 |
| PSA | 62.70000 |
| LogP | 2.26988 |
| InChIKey | RANOMAHFIQOQIG-UHFFFAOYSA-N |
| SMILES | N#Cc1cc2ccccc2nc1N |
| 储存条件 | 室温 |
| 计算化学 | 1.疏水参数计算参考值(XlogP):2.1 2.氢键供体数量:1 3.氢键受体数量:3 4.可旋转化学键数量:0 5.互变异构体数量:2 6.拓扑分子极性表面积:62.7 7.重原子数量:13 8.表面电荷:0 9.复杂度:230 10.同位素原子数量:0 11.确定原子立构中心数量:0 12.不确定原子立构中心数量:0 13.确定化学键立构中心数量:0 14.不确定化学键立构中心数量:0 15.共价键单元数量:1 |
| 海关编码 | 2933499090 |
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~97%
2-氨基喹啉-3-甲腈 31407-25-7 |
| 文献:Shen, Qiang; Wang, Limin; Yu, Jianjun; Liu, Mingtao; Qiu, Jun; Fang, Lei; Guo, Fenglou; Tang, Jun Synthesis, 2012 , vol. 44, # 3 art. no. H96411SS, p. 389 - 392 |
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~90%
2-氨基喹啉-3-甲腈 31407-25-7 |
| 文献:Zhou, Long-Hu; Tu, Shu-Jiang; Shi, Da-Qin; Dai, Gui-Yuan; Chen, Wei-Xing Synthesis, 1998 , # 6 p. 851 - 854 |
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~92%
2-氨基喹啉-3-甲腈 31407-25-7 |
| 文献:Ukhin; Belov Russian Chemical Bulletin, 2008 , vol. 57, # 2 p. 418 - 421 |
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~%
2-氨基喹啉-3-甲腈 31407-25-7 |
| 文献:WO2012/65963 A2, ; |
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~%
2-氨基喹啉-3-甲腈 31407-25-7 |
| 文献:Bulletin de la Societe Chimique de France, , # 5 p. 795 - 802 |
| 2-氨基喹啉-3-甲腈上游产品 5 | |
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| 2-氨基喹啉-3-甲腈下游产品 1 | |
| 海关编码 | 2933499090 |
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| 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% |
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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: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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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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| 2-aminoquinoline-3-carbonitrile |