间氨基苯磺酰苯胺结构式
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常用名 | 间氨基苯磺酰苯胺 | 英文名 | 3-Aminobenzenesulfonanilide |
|---|---|---|---|---|
| CAS号 | 80-21-7 | 分子量 | 248.30100 | |
| 密度 | 1.373 g/cm3 | 沸点 | 458.9ºC at 760 mmHg | |
| 分子式 | C12H12N2O2S | 熔点 | ≥121ºC | |
| MSDS | N/A | 闪点 | 231.3ºC |
间氨基苯磺酰苯胺用途染料中间体。 |
| 中文名 | 间氨基苯磺酰苯胺 |
|---|---|
| 英文名 | 3-Amino-N-phenylbenzenesulfonamide |
| 中文别名 | 3-[(4-氨基苯基)磺酰基]苯胺 |
| 英文别名 | 更多 |
| 密度 | 1.373 g/cm3 |
|---|---|
| 沸点 | 458.9ºC at 760 mmHg |
| 熔点 | ≥121ºC |
| 分子式 | C12H12N2O2S |
| 分子量 | 248.30100 |
| 闪点 | 231.3ºC |
| 精确质量 | 248.06200 |
| PSA | 80.57000 |
| LogP | 3.80460 |
| InChIKey | SOZFVONLAQIHRF-UHFFFAOYSA-N |
| SMILES | Nc1cccc(S(=O)(=O)Nc2ccccc2)c1 |
| 外观性状 | 粉末 |
| 折射率 | 1.669 |
| 储存条件 | 2-8°C, 密封, 干燥, 避光 |
| 分子结构 | 1、 摩尔折射率:42.80 2、 摩尔体积(cm3/mol):120.6 3、 等张比容(90.2K):340.9 4、 表面张力(dyne/cm):63.7 5、 极化率(10-24cm3):16.97 |
| 计算化学 | 1.疏水参数计算参考值(XlogP):无 2.氢键供体数量:2 3.氢键受体数量:4 4.可旋转化学键数量:3 5.互变异构体数量:无 6.拓扑分子极性表面积80.6 7.重原子数量:17 8.表面电荷:0 9.复杂度:331 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 |
|---|---|
| 海关编码 | 2935009090 |
|
~78%
间氨基苯磺酰苯胺 80-21-7 |
| 文献:US2007/293494 A1, ; Page/Page column 23; 24 ; |
| 间氨基苯磺酰苯胺上游产品 1 | |
|---|---|
| 间氨基苯磺酰苯胺下游产品 0 | |
| 海关编码 | 2935009090 |
|---|---|
| 中文概述 | 2935009090 其他磺(酰)胺. 增值税率:17.0% 退税率:9.0% 监管条件:无 最惠国关税:6.5% 普通关税:35.0% |
| 申报要素 | 品名, 成分含量, 用途 |
| Summary | 2935009090 other sulphonamides VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:6.5% General tariff:35.0% |
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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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| MFCD00035928 |
| 3-amino-N-phenylbenzenesulfonamide |
| EINECS 201-259-4 |