3-甲基喹喔啉-2-醇结构式
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常用名 | 3-甲基喹喔啉-2-醇 | 英文名 | 3-Methylquinoxalin-2-ol |
|---|---|---|---|---|
| CAS号 | 14003-34-0 | 分子量 | 160.173 | |
| 密度 | 1.3±0.1 g/cm3 | 沸点 | 345.6ºC at 760mmHg | |
| 分子式 | C9H8N2O | 熔点 | 246-248ºC(lit.) | |
| MSDS | N/A | 闪点 | 162.8ºC |
| 中文名 | 3-甲基-3-喹诺醇 |
|---|---|
| 英文名 | 3-methyl-1H-quinoxalin-2-one |
| 中文别名 | 3-甲基-2(1H)-喹喔啉 | 3-甲基-2-喹诺醇 |
| 英文别名 | 更多 |
| 密度 | 1.3±0.1 g/cm3 |
|---|---|
| 沸点 | 345.6ºC at 760mmHg |
| 熔点 | 246-248ºC(lit.) |
| 分子式 | C9H8N2O |
| 分子量 | 160.173 |
| 闪点 | 162.8ºC |
| 精确质量 | 160.063660 |
| PSA | 46.01000 |
| LogP | 0.71 |
| InChIKey | BMIMNRPAEPIYDN-UHFFFAOYSA-N |
| SMILES | Cc1nc2ccccc2[nH]c1=O |
| 外观性状 | 棕色粉末 |
| 蒸汽压 | 3.04E-05mmHg at 25°C |
| 折射率 | 1.644 |
| 储存条件 | 密闭于阴凉干燥环境中 |
| 稳定性 | 遵照规定使用和储存则不会分解。 |
| 分子结构 | 1、 摩尔折射率:46.98 2、 摩尔体积(m3/mol):124.7 3、 等张比容(90.2K):352.0 4、 表面张力(3.0 dyne/cm):63.5 5、 极化率(0.5 10 -24cm 3):18.62 |
| 计算化学 | 1.疏水参数计算参考值(XlogP):0.7 2.氢键供体数量:1 3.氢键受体数量:2 4.可旋转化学键数量:0 5.互变异构体数量:4 6.拓扑分子极性表面积41.5 7.重原子数量:12 8.表面电荷:0 9.复杂度:235 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:无可用 2. 密度(g/mL,25/4℃):无可用 3. 相对蒸汽密度(g/mL,空气=1):无可用 4. 熔点(ºC):246-248 5. 沸点(ºC,常压):无可用 6. 沸点(ºC,5.2kPa):无可用 7. 折射率:无可用 8. 闪点(ºC):无可用 9. 比旋光度(º):无可用 10. 自燃点或引燃温度(ºC):无可用 11. 蒸气压(kPa,25ºC):无可用 12. 饱和蒸气压(kPa,60ºC):无可用 13. 燃烧热(KJ/mol):无可用 14. 临界温度(ºC):无可用 15. 临界压力(KPa):无可用 16. 油水(辛醇/水)分配系数的对数值:无可用 17. 爆炸上限(%,V/V):无可用 18. 爆炸下限(%,V/V):无可用 19. 溶解性:无可用 |
| 3-甲基喹喔啉-2-醇上游产品 8 | |
|---|---|
| 3-甲基喹喔啉-2-醇下游产品 10 | |
| 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: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:The P-glycoprotein (Pgp) antagonism score is the percentage of NCI/ADR cells survivin...
来源:ChEMBL
靶标:ATP-dependent translocase ABCB1
External Id:CHEMBL848334
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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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| 3-methylquinoxalin-2-ol |
| 2(1H)-Quinoxalinone,3-methyl |
| 2-QUINOXALINOL,3-METHYL |
| 3-methylquinoxalin-2-(2H)-one |
| USAF EL-7 |
| 3-Methyl-2(1H)-quinoxalinone |
| 3-methylbenzo-1H-dihydropyrazine-2-one |
| 3-Methyl-2-quinoxalinol |
| 3-Hydroxy-2-methylquinoxaline |
| 3-methyl-2-oxo-1,2-dihydroquinoxaline |
| 3-methyl-1,4-benzodiazine-2-one |
| 2-Hydroxy-3-methyl quinoxaline |
| 3-Methylquinoxalin-2(1H)-one |
| 3-methyl-1H-quinoxaline-2-one |
| 3-methyl-1,2-dihydroquinoxalin-2-one |
| 2-methyl-3-oxo-3,4-dihydroquinoxaline |