2',4'-二甲氧基乙酰乙酰苯胺结构式
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常用名 | 2',4'-二甲氧基乙酰乙酰苯胺 | 英文名 | 2',4'-dimethoxyacetoacetanilide |
|---|---|---|---|---|
| CAS号 | 16715-79-0 | 分子量 | 237.25200 | |
| 密度 | 1.182g/cm3 | 沸点 | 413.7ºC at 760mmHg | |
| 分子式 | C12H15NO4 | 熔点 | 96 °C | |
| MSDS | 美版 | 闪点 | 204ºC |
2',4'-二甲氧基乙酰乙酰苯胺用途钙钛矿太阳能电池(PSC)材料 |
| 中文名 | 2',4'-二甲氧基乙酰乙酰苯胺 |
|---|---|
| 英文名 | N-(2,4-dimethoxyphenyl)-3-oxobutanamide |
| 中文别名 | 2,4-二甲氧基乙酰乙酰替苯胺 |
| 英文别名 | 更多 |
| 密度 | 1.182g/cm3 |
|---|---|
| 沸点 | 413.7ºC at 760mmHg |
| 熔点 | 96 °C |
| 分子式 | C12H15NO4 |
| 分子量 | 237.25200 |
| 闪点 | 204ºC |
| 精确质量 | 237.10000 |
| PSA | 64.63000 |
| LogP | 1.69440 |
| InChIKey | IQWUCASGTZCNKK-UHFFFAOYSA-N |
| SMILES | COc1ccc(NC(=O)CC(C)=O)c(OC)c1 |
| 外观性状 | 固体;Light yellow to Brown powder to crystal |
| 蒸汽压 | 4.71E-07mmHg at 25°C |
| 折射率 | 1.542 |
| 储存条件 | 室温,干燥 |
| 分子结构 | 1、 摩尔折射率:63.17 2、 摩尔体积(m3/mol):200.6 3、 等张比容(90.2K):508.9 4、 表面张力(dyne/cm):41.4 5、 极化率(10-24cm3):25.04 |
| 计算化学 | 1.疏水参数计算参考值(XlogP):无 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:5 5.互变异构体数量:8 6.拓扑分子极性表面积64.6 7.重原子数量:17 8.表面电荷:0 9.复杂度:280 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.性状:未确定 2.密度(g/mL,25/4℃):未确定 3.相对蒸汽密度(g/mL,空气=1):未确定 4. 熔点(ºC): 96 5. 沸点(ºC,常压): 未确定6.沸点(ºC,5.2kPa):未确定 7.折射率:未确定 8.闪点(ºC):未确定 9.比旋光度(º):未确定 10.自燃点或引燃温度(ºC):未确定 11.蒸气压(kPa,25ºC):未确定 12.饱和蒸气压(kPa,60ºC):未确定 13.燃烧热(KJ/mol):未确定 14.临界温度(ºC):未确定 15.临界压力(KPa):未确定 16.油水(辛醇/水)分配系数的对数值:未确定 17.爆炸上限(%,V/V):未确定 18.爆炸下限(%,V/V):未确定 19.溶解性:未确定 |
| 危害码 (欧洲) | Xi,Xn |
|---|---|
| 风险声明 (欧洲) | R36/37/38:Irritating to eyes, respiratory system and skin . R20/21/22:Harmful by inhalation, in contact with skin and if swallowed . |
| 安全声明 (欧洲) | S26-S28-S36/39-S36/37/39 |
| 危险品运输编码 | 2810 |
| WGK德国 | 2 |
| 包装等级 | III |
| 危险类别 | 6.1 |
| 海关编码 | 2924299090 |
| 2',4'-二甲氧基乙酰乙酰苯胺上游产品 4 | |
|---|---|
| 2',4'-二甲氧基乙酰乙酰苯胺下游产品 0 | |
| 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% |
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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: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
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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 ...
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靶标:N/A
External Id:BCCG-A405-UPR-XBP1-PrimaryAgonist-Assay
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实验名称:Antibacterial activity against Klebsiella pneumoniae MDR ATCC 70063 (CO-ADD:GN_003); ...
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External Id:CHEMBL4296186
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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:Identifying Sarm1 TIR NADase inhibitors through high throughput HPLC assay
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靶标:N/A
External Id:Sarm1 TIR NADase inhibitors
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| Butanamide,N-(2,4-dimethoxyphenyl)-3-oxo |
| acetoacet-2,4-dimethoxyanilide |
| MFCD00043929 |
| 2',4'-DIMETHOXYACETOACETANILIDE |
| EINECS 240-770-7 |