2-(4-(叔丁基)苯氧基)乙酸结构式
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常用名 | 2-(4-(叔丁基)苯氧基)乙酸 | 英文名 | 4-tert-Butylphenoxyacetic acid |
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| CAS号 | 1798-04-5 | 分子量 | 208.25400 | |
| 密度 | 1.088g/cm3 | 沸点 | 325.4ºC at 760mmHg | |
| 分子式 | C12H16O3 | 熔点 | 96 °C(lit.) | |
| MSDS | N/A | 闪点 | 120.8ºC |
| 中文名 | 4-叔-丁基苯氧基乙酸 |
|---|---|
| 英文名 | 2-(4-tert-butylphenoxy)acetic acid |
| 中文别名 | 4-叔丁基苯氧基乙酸 |
| 英文别名 | 更多 |
| 密度 | 1.088g/cm3 |
|---|---|
| 沸点 | 325.4ºC at 760mmHg |
| 熔点 | 96 °C(lit.) |
| 分子式 | C12H16O3 |
| 分子量 | 208.25400 |
| 闪点 | 120.8ºC |
| 精确质量 | 208.11000 |
| PSA | 46.53000 |
| LogP | 2.44750 |
| 蒸汽压 | 9.43E-05mmHg at 25°C |
| 折射率 | 1.513 |
| 储存条件 | 室温 |
| 水溶解性 | Very slightly soluble (0.56 g/L) (25 ºC) |
| 计算化学 | 1、 疏水参数计算参考值(XlogP):3.2 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:4 5、 互变异构体数量: 6、 拓扑分子极性表面积(TPSA):46.5 7、 重原子数量:15 8、 表面电荷:0 9、 复杂度:209 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 |
| 危害码 (欧洲) | Xi |
|---|---|
| 风险声明 (欧洲) | R36/37/38 |
| 安全声明 (欧洲) | S26-S36/37/39 |
| 海关编码 | 2918990090 |
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~92%
2-(4-(叔丁基)苯氧基)乙酸 1798-04-5 |
| 文献:Li, Xiong; Gong, Shu-Ling; Yang, Wei-Ping; Chen, Yuan-Yin; Meng, Xiang-Gao Tetrahedron, 2008 , vol. 64, # 27 p. 6230 - 6237 |
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~%
2-(4-(叔丁基)苯氧基)乙酸 1798-04-5 |
| 文献:Journal of Medicinal Chemistry, , vol. 27, # 8 p. 967 - 978 |
|
~0%
2-(4-(叔丁基)苯氧基)乙酸 1798-04-5 |
| 文献:Berger; Frank M. Patent: US4451474 A1, 1984 ; |
|
~91%
2-(4-(叔丁基)苯氧基)乙酸 1798-04-5 |
| 文献:Ozcan, Sevil; Kazi, Aslamuzzaman; Marsilio, Frank; Fang, Bin; Guida, Wayne C.; Koomen, John; Lawrence, Harshani R.; Sebti, Said M. Journal of Medicinal Chemistry, 2013 , vol. 56, # 10 p. 3783 - 3805 |
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~%
2-(4-(叔丁基)苯氧基)乙酸 1798-04-5 |
| 文献:Journal of Medicinal Chemistry, , vol. 50, # 7 p. 1675 - 1684 |
|
~%
2-(4-(叔丁基)苯氧基)乙酸 1798-04-5 |
| 文献:American Chemical Journal, , vol. 19, p. 73 |
|
~%
2-(4-(叔丁基)苯氧基)乙酸 1798-04-5 |
| 文献:US2210874 , ; |
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~%
2-(4-(叔丁基)苯氧基)乙酸 1798-04-5 |
| 文献:The Journal of organic chemistry, , vol. 31, # 8 p. 2560 - 2564 |
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~%
2-(4-(叔丁基)苯氧基)乙酸 1798-04-5 |
| 文献:Bioorganic Chemistry, , vol. 22, # 3 p. 242 - 252 |
| 海关编码 | 2918990090 |
|---|---|
| 中文概述 | 2918990090. 其他含其他附加含氧基羧酸(包括酸酐、酰卤化物、过氧化物和过氧酸及该税号的衍生物). 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:30.0% |
| 申报要素 | 品名, 成分含量, 用途 |
| Summary | 2918990090. other carboxylic acids with additional oxygen function and their anhydrides, halides, peroxides and peroxyacids; their halogenated, sulphonated, nitrated or nitrosated derivatives. 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: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:Antibacterial activity against Klebsiella pneumoniae MDR ATCC 70063 (CO-ADD:GN_003); ...
来源:ChEMBL
靶标:Klebsiella pneumoniae
External Id:CHEMBL4296186
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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:Identifying Sarm1 TIR NADase inhibitors through high throughput HPLC assay
来源:24386
靶标:N/A
External Id:Sarm1 TIR NADase inhibitors
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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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| TAC acid ([4-(1,1-Dimethylethyl)phenoxy]-acetic acid |
| 4-tert-Butylphenoxyacetic acid |
| (4-tert.-Butylphenoxy)-essigsäure |
| (4-TERT-BUTYL-PHENOXY)-ACETIC ACID |
| MFCD00021758 |
| para-t-butylphenoxyacetic acid |