3-Azaspiro[5.5]undecane-1,5-dicarbonitrile,2,4-dioxo结构式
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常用名 | 3-Azaspiro[5.5]undecane-1,5-dicarbonitrile,2,4-dioxo | 英文名 | 3-Azaspiro[5.5]undecane-1,5-dicarbonitrile,2,4-dioxo |
|---|---|---|---|---|
| CAS号 | 4355-15-1 | 分子量 | 231.25100 | |
| 密度 | 1.28g/cm3 | 沸点 | 556.9ºC at 760mmHg | |
| 分子式 | C12H13N3O2 | 熔点 | N/A | |
| MSDS | N/A | 闪点 | 290.6ºC |
本表展示该化学物质的中文名称、英文系统名、各类中文与英文别名信息。
| 英文名 | 2,4-dioxo-3-azaspiro[5.5]undecane-1,5-dicarbonitrile |
|---|---|
| 英文别名 | 更多 |
本表包含该物质理化参数,如熔点、沸点、密度、溶解度、旋光性等理化指标,无数据项标记为N/A。
| 密度 | 1.28g/cm3 |
|---|---|
| 沸点 | 556.9ºC at 760mmHg |
| 分子式 | C12H13N3O2 |
| 分子量 | 231.25100 |
| 闪点 | 290.6ºC |
| 精确质量 | 231.10100 |
| PSA | 93.75000 |
| LogP | 1.20166 |
| InChIKey | YDDZHTSOBDNNMZ-UHFFFAOYSA-N |
| SMILES | N#CC1C(=O)NC(=O)C(C#N)C12CCCCC2 |
| 折射率 | 1.547 |
本表汇总该化学品毒理试验数据、急性慢性毒性以及环境生态危害相关参数。
本表记录该化合物安全警示、防护措施、禁配物、处置方式等安全相关参考信息。
| 海关编码 | 2926909090 |
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本表提供该化合物公开报道的合成路线、反应条件、反应物与产物参考信息。
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~86%
3-Azaspiro[5.5]... 4355-15-1 |
| 文献:NHWA Pharma Corporation Patent: US2009/99362 A1, 2009 ; Location in patent: Page/Page column 3-4 ; |
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~87%
3-Azaspiro[5.5]... 4355-15-1 |
| 文献:NHWA Pharma Corporation Patent: US2009/99362 A1, 2009 ; Location in patent: Page/Page column 3 ; |
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~%
3-Azaspiro[5.5]... 4355-15-1 |
| 文献:Birch; Kon; Norris Journal of the Chemical Society, 1923 , vol. 123, p. 1365 |
本表列出该化学品对应的上游起始原料以及下游衍生产物清单。
| 上游产品 4 | |
|---|---|
| 下游产品 6 | |
本表展示该化学品海关编码、关税、监管条件等进出口海关参考数据。
| 海关编码 | 2926909090 |
|---|---|
| 中文概述 | 2926909090 其他腈基化合物. 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:30.0% |
| 申报要素 | 品名, 成分含量, 用途 |
| Summary | HS:2926909090 other nitrile-function compounds VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:6.5% General tariff:30.0% |
本表记录该化合物靶点、体外体内实验、生物测定实验相关实验数据。
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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:qHTS for Inhibitors of human tyrosyl-DNA phosphodiesterase 1 (TDP1): qHTS in cells in...
来源:NCGC
靶标:TDP1 protein [Homo sapiens]
External Id:TDP1100
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实验名称:qHTS for Stage-Specific Inhibitors of Vaccinia Orthopoxvirus: mCherry Reporter Primar...
来源:NCGC
靶标:67.9K protein [Vaccinia virus]
External Id:Vaccinia-p2mCherry
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实验名称:qHTS for Agonist of cAMP-regulated guanine nucleotide exchange factor 3 (EPAC1): prim...
来源:NCGC
靶标:RecName: Full=Rap guanine nucleotide exchange factor 3; AltName: Full=Exchange factor directly activated by cAMP 1; AltName: Full=Exchange protein directly activated by cAMP 1; Short=EPAC 1; AltName: Full=Rap1 guanine-nucleotide-exchange factor directly activated by cAMP; AltName: Full=cAMP-regulated guanine nucleotide exchange factor I; Short=cAMP-GEFI
External Id:EPAC1-agonist-p1
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实验名称:qHTS for Inhibitors of human tyrosyl-DNA phosphodiesterase 1 (TDP1): qHTS in cells in...
来源:NCGC
靶标:TDP1 protein [Homo sapiens]
External Id:TDP1101
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实验名称:Fluorescence-based biochemical high throughput primary assay to identify inhibitors o...
来源:The Scripps Research Institute Molecular Screening Center
靶标:Phospholipase C, beta 3 (phosphatidylinositol-specific) [Homo sapiens]
External Id:PLCB3_INH_QFRET_1536_1X%INH 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:ADAM10 [Homo sapiens]
External Id:ADAM10_INH_QFRET_1536_1X%INH PRUN
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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:qHTS for Agonist of cAMP-regulated guanine nucleotide exchange factor 4 (EPAC2): prim...
来源:NCGC
靶标:RecName: Full=Rap guanine nucleotide exchange factor 4; AltName: Full=Exchange factor directly activated by cAMP 2; AltName: Full=Exchange protein directly activated by cAMP 2; Short=EPAC 2; AltName: Full=cAMP-regulated guanine nucleotide exchange factor II; Short=cAMP-GEFII
External Id:EPAC2-agonist-p1
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实验名称:qHTS for Antagonist of cAMP-regulated guanine nucleotide exchange factor 2 (EPAC2): p...
来源:NCGC
靶标:RecName: Full=Rap guanine nucleotide exchange factor 4; AltName: Full=Exchange factor directly activated by cAMP 2; AltName: Full=Exchange protein directly activated by cAMP 2; Short=EPAC 2; AltName: Full=cAMP-regulated guanine nucleotide exchange factor II; Short=cAMP-GEFII
External Id:EPAC2-antagonist-p1
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本表罗列该化合物全部英文别名、系统命名、CAS别名等英文名称集合。
| 3,5-Dicyano-4,4-spirocyclohexaneglutarimide |
| EINECS 224-428-4 |
| AmbscPOD_03/0180 |
本部分为该化合物相关常见问答,包含基础参数、性状、储存条件等高频咨询问题与对应答案。
| Q: 4355-15-1的LogP(油水分配系数)是多少? |
| A: 4355-15-1LogP(油水分配系数)为1.20166。 |
| Q: 4355-15-1的下游产品有哪些? |
| A: 4355-15-1相关下游产品(CAS):108667-25-0;1010-26-0;3187-27-7;4355-11-7;872696-79-2;42940-52-3。 |
| Q: 4355-15-1的分子量是多少? |
| A: 4355-15-1分子量为231.25100。 |
| Q: 4355-15-1的CAS号是多少? |
| A: 4355-15-1CAS号为4355-15-1。 |
| Q: 4355-15-1的极性表面积PSA是多少? |
| A: 4355-15-1极性表面积PSA为93.75000。 |
| Q: 4355-15-1的SMILES表达式是什么? |
| A: 4355-15-1SMILES表达式为N#CC1C(=O)NC(=O)C(C#N)C12CCCCC2。 |
| Q: 4355-15-1的分子式是什么? |
| A: 4355-15-1分子式为C12H13N3O2。 |
| Q: 4355-15-1有哪些英文别名? |
| A: 4355-15-1英文别名有:3,5-Dicyano-4,4-spirocyclohexaneglutarimide、 EINECS 224-428-4、 AmbscPOD_03/0180。 |
| Q: 4355-15-1的InChIKey是什么? |
| A: 4355-15-1InChIKey为YDDZHTSOBDNNMZ-UHFFFAOYSA-N。 |
| Q: 4355-15-1的沸点是多少? |
| A: 4355-15-1沸点为556.9ºC at 760mmHg。 |