2-(对甲苯基)-1H-苯并[d]咪唑结构式
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常用名 | 2-(对甲苯基)-1H-苯并[d]咪唑 | 英文名 | 2-(p-Tolyl)-1H-benzo[d]imidazole |
|---|---|---|---|---|
| CAS号 | 120-03-6 | 分子量 | 208.25800 | |
| 密度 | 1.178g/cm3 | 沸点 | 402.3ºC at 760mmHg | |
| 分子式 | C14H12N2 | 熔点 | 265-269 °C | |
| MSDS | N/A | 闪点 | 210.1ºC |
| 中文名 | 2-(4-甲基苯)苯并咪唑 |
|---|---|
| 英文名 | 2-(4-Methylphenyl)benzimidazole |
| 中文别名 | 2-对甲苯-1H-苯并咪唑 |
| 英文别名 | 更多 |
| 密度 | 1.178g/cm3 |
|---|---|
| 沸点 | 402.3ºC at 760mmHg |
| 熔点 | 265-269 °C |
| 分子式 | C14H12N2 |
| 分子量 | 208.25800 |
| 闪点 | 210.1ºC |
| 精确质量 | 208.10000 |
| PSA | 28.68000 |
| LogP | 3.53830 |
| InChIKey | YJSWQFYMPODDTQ-UHFFFAOYSA-N |
| SMILES | Cc1ccc(-c2nc3ccccc3[nH]2)cc1 |
| 外观性状 | 粉末或晶体 |
| 蒸汽压 | 1.11E-06mmHg at 25°C |
| 折射率 | 1.67 |
| 储存条件 | 室温, 密封, 干燥 |
| 分子结构 | 1、 摩尔折射率:66.03 2、 摩尔体积(cm3/mol):176.6 3、 等张比容(90.2K):475.8 4、 表面张力(dyne/cm):52.6 5、 极化率(10-24cm3):26.17 |
| 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:1 4.可旋转化学键数量:1 5.互变异构体数量:无 6.拓扑分子极性表面积28.7 7.重原子数量:16 8.表面电荷:0 9.复杂度:233 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) | Xn |
|---|---|
| 海关编码 | 2933990090 |
| 2-(对甲苯基)-1H-苯并[d]咪唑上游产品 10 | |
|---|---|
| 2-(对甲苯基)-1H-苯并[d]咪唑下游产品 0 | |
| 海关编码 | 2933990090 |
|---|---|
| 中文概述 | 2933990090. 其他仅含氮杂原子的杂环化合物. 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 | 2933990090. heterocyclic compounds with nitrogen hetero-atom(s) only. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0% |
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实验名称:Discovery of Small Molecules to Inhibit Human Cytomegalovirus Nuclear Egress
来源:ICCB-Longwood/NSRB Screening Facility, Harvard Medical School
靶标:HCMV UL50
External Id:HMS1262
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实验名称:Screen for inhibitors of RMI FANCM (MM2) intereaction
来源:11908
靶标:N/A
External Id:RMI-FANCM-MM2
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实验名称:Antibacterial activity against Pseudomonas aeruginosa ATCC 23564 assessed as growth i...
来源:ChEMBL
靶标:Pseudomonas aeruginosa
External Id:CHEMBL3077204
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实验名称:Antibacterial activity against Salmonella enterica subsp. enterica serovar Typhi ATCC...
来源:ChEMBL
靶标:Salmonella enterica subsp. enterica serovar Typhi
External Id:CHEMBL3077205
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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:Antibacterial activity against Escherichia coli ATCC 35218 assessed as growth inhibit...
来源:ChEMBL
靶标:Escherichia coli
External Id:CHEMBL3077206
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实验名称:Antileishmanial activity against promastigote form of Leishmania major after 72 hr by...
来源:ChEMBL
靶标:Leishmania major
External Id:CHEMBL3070475
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实验名称:Antibacterial activity against Staphylococcus aureus ATCC 11632 assessed as growth in...
来源:ChEMBL
靶标:Staphylococcus aureus
External Id:CHEMBL3077207
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实验名称:Antibacterial activity against Enterococcus feacalis clinical isolate assessed as gro...
来源:ChEMBL
靶标:Enterococcus faecalis
External Id:CHEMBL3077208
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实验名称:Antibacterial activity against Bacillus cereus MTCC 7350 assessed as growth inhibitio...
来源:ChEMBL
靶标:Bacillus cereus
External Id:CHEMBL3077209
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| MFCD00209485 |
| 2-(4-methylphenyl)-1h-benzimidazole |