3-氨基吡啶-4-羧酸乙酯结构式
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常用名 | 3-氨基吡啶-4-羧酸乙酯 | 英文名 | Methyl 3-aminoisonicotinate |
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| CAS号 | 55279-30-6 | 分子量 | 152.15 | |
| 密度 | 1.2±0.1 g/cm3 | 沸点 | 292.5±20.0 °C at 760 mmHg | |
| 分子式 | C7H8N2O2 | 熔点 | 84-86 | |
| MSDS | 美版 | 闪点 | 130.7±21.8 °C |
3-氨基吡啶-4-羧酸乙酯用途3-氨基吡啶-4-羧酸甲酯是一种生物化学试剂,可作为生物材料或有机化合物用于生命科学相关研究。 |
| 中文名 | 3-氨基异烟酸甲酯 |
|---|---|
| 英文名 | 3-Amino-Isonicotinic Acid Methyl Ester |
| 中文别名 | 3-氨基吡啶-4-羧酸乙酯 | 3-氨基-4-吡啶甲酸甲酯 |
| 英文别名 | 更多 |
| 密度 | 1.2±0.1 g/cm3 |
|---|---|
| 沸点 | 292.5±20.0 °C at 760 mmHg |
| 熔点 | 84-86 |
| 分子式 | C7H8N2O2 |
| 分子量 | 152.15 |
| 闪点 | 130.7±21.8 °C |
| 精确质量 | 152.058578 |
| PSA | 65.21000 |
| LogP | 1.26 |
| InChIKey | XLQIGLBALJNHKR-UHFFFAOYSA-N |
| SMILES | COC(=O)c1ccncc1N |
| 蒸汽压 | 0.0±0.6 mmHg at 25°C |
| 折射率 | 1.571 |
| 储存条件 | 室温 |
| 分子结构 | 1、 摩尔折射率:40.35 2、 摩尔体积(cm3/mol):122.8 3、 等张比容(90.2K):332.1 4、 表面张力(dyne/cm):53.4 5、 极化率(10-24cm3):15.99 |
| 计算化学 | 1.疏水参数计算参考值(XlogP):0.6 2.氢键供体数量:1 3.氢键受体数量:4 4.可旋转化学键数量:2 5.互变异构体数量:3 6.拓扑分子极性表面积65.2 7.重原子数量:11 8.表面电荷:0 9.复杂度:149 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 |
| 更多 | 1. 熔点(ºC):84~86 |
| 危害码 (欧洲) | Xi: Irritant; |
|---|---|
| 风险声明 (欧洲) | 22 |
| 海关编码 | 2933399090 |
| 3-氨基吡啶-4-羧酸乙酯上游产品 6 | |
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| 3-氨基吡啶-4-羧酸乙酯下游产品 10 | |
| 海关编码 | 2933399090 |
|---|---|
| 中文概述 | 2933399090. 其他结构含非稠合吡啶环的化合物. 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 | 2933399090. other compounds containing an unfused pyridine ring (whether or not hydrogenated) in the structure. 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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| methyl 3-aminopyridine-4-carboxylate |
| 3-Aminopyridine-4-carboxylic acid methyl ester |
| Methyl 3-aminoisonicotinate |
| 4-Pyridinecarboxylic acid, 3-amino-, methyl ester |
| MFCD02082535 |