5-(乙酰氨基)异酞酸结构式
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常用名 | 5-(乙酰氨基)异酞酸 | 英文名 | 5-(Acetylamino)isophthalic acid |
|---|---|---|---|---|
| CAS号 | 6344-50-9 | 分子量 | 223.18200 | |
| 密度 | 1.512 g/cm3 | 沸点 | 571.167ºC at 760 mmHg | |
| 分子式 | C10H9NO5 | 熔点 | N/A | |
| MSDS | N/A | 闪点 | N/A |
| 中文名 | 5-(乙酰氨基)异酞酸 |
|---|---|
| 英文名 | 5-acetamidobenzene-1,3-dicarboxylic acid |
| 英文别名 | 更多 |
| 密度 | 1.512 g/cm3 |
|---|---|
| 沸点 | 571.167ºC at 760 mmHg |
| 分子式 | C10H9NO5 |
| 分子量 | 223.18200 |
| 精确质量 | 223.04800 |
| PSA | 103.70000 |
| LogP | 1.11440 |
| InChIKey | KQQYZSYKZQESPQ-UHFFFAOYSA-N |
| SMILES | CC(=O)Nc1cc(C(=O)O)cc(C(=O)O)c1 |
| 折射率 | 1.658 |
| 计算化学 | 1.疏水参数计算参考值(XlogP):无 2.氢键供体数量:3 3.氢键受体数量:5 4.可旋转化学键数量:3 5.互变异构体数量:3 6.拓扑分子极性表面积:104 7.重原子数量:16 8.表面电荷:0 9.复杂度:292 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 | 2924199090 |
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~92%
5-(乙酰氨基)异酞酸 6344-50-9 |
| 文献:Kelly, Dawn M.; Moynihan, Humphrey A. Tetrahedron, 2010 , vol. 66, # 29 p. 5459 - 5466 |
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~79%
5-(乙酰氨基)异酞酸 6344-50-9 |
| 文献:Mali, Sachitanand M.; Bhaisare, Rupal D.; Gopi, Hosahudya N. Journal of Organic Chemistry, 2013 , vol. 78, # 11 p. 5550 - 5555 |
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~%
5-(乙酰氨基)异酞酸 6344-50-9 |
| 文献:Cunliffe, Denise; Leason, Mark; Parkin, Donald; Lea, Peter J. Phytochemistry (Elsevier), 1983 , vol. 22, # 6 p. 1357 - 1360 |
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~%
5-(乙酰氨基)异酞酸 6344-50-9 |
| 文献:Cunliffe, Denise; Leason, Mark; Parkin, Donald; Lea, Peter J. Phytochemistry (Elsevier), 1983 , vol. 22, # 6 p. 1357 - 1360 |
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~%
5-(乙酰氨基)异酞酸 6344-50-9 |
| 文献:Meyer,R.; Wesche Chemische Berichte, 1917 , vol. 50, p. 448 |
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~%
5-(乙酰氨基)异酞酸 6344-50-9 |
| 文献:Meyer,R.; Wesche Chemische Berichte, 1917 , vol. 50, p. 448 |
| 5-(乙酰氨基)异酞酸上游产品 7 | |
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| 5-(乙酰氨基)异酞酸下游产品 0 | |
| 海关编码 | 2924199090 |
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| 中文概述 | 2924199090. 其他无环酰胺(包括无环氨基甲酸酯)(包括其衍生物及盐). 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 | 2924199090. other acyclic amides (including acyclic carbamates) and their derivatives; salts thereof. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:30.0% |
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实验名称:Cell-based high throughput primary assay to identify activators of GPR151
来源:The Scripps Research Institute Molecular Screening Center
靶标:RecName: Full=G-protein coupled receptor 151; AltName: Full=G-protein coupled receptor PGR7; AltName: Full=GPCR-2037; AltName: Full=Galanin receptor 4; AltName: Full=Galanin-receptor-like protein; Short=GalRL
External Id:GPR151_PHUNTER_AG_LUMI_1536_1X%ACT
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实验名称:AlphaScreen-based biochemical high throughput primary assay to identify activators of...
来源:The Scripps Research Institute Molecular Screening Center
靶标:N/A
External Id:FBW7_ACT_ALPHA_1536_1X%ACT PRUN
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实验名称:AlphaScreen-based biochemical high throughput primary assay to identify inhibitors of...
来源:The Scripps Research Institute Molecular Screening Center
External Id:MITF_INH_Alpha_1536_1X%INH PRUN
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| 5-Acetamino-isophthalsaeure |
| 5-N-acetylaminoisophthlic acid |
| 5-acetamidoisophthalic acid |
| 5-Acetylamino-isophthalsaeure |
| 5-acetylamino-1,3-benzenedicarboxylic acid |
| 5-acetylamino-isophthalic acid |