2H-Azepin-2-one,1-benzoylhexahydro结构式
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常用名 | 2H-Azepin-2-one,1-benzoylhexahydro | 英文名 | 2H-Azepin-2-one,1-benzoylhexahydro |
|---|---|---|---|---|
| CAS号 | 6248-28-8 | 分子量 | 217.26400 | |
| 密度 | 1.15g/cm3 | 沸点 | 374.1ºC at 760 mmHg | |
| 分子式 | C13H15NO2 | 熔点 | N/A | |
| MSDS | N/A | 闪点 | 168.7ºC |
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 | 1-benzoylazepan-2-one |
|---|---|
| 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 | 1.15g/cm3 |
|---|---|
| 沸点 | 374.1ºC at 760 mmHg |
| 分子式 | C13H15NO2 |
| 分子量 | 217.26400 |
| 闪点 | 168.7ºC |
| 精确质量 | 217.11000 |
| PSA | 37.38000 |
| LogP | 2.16730 |
| InChIKey | FEFQUIPMKBPKAR-UHFFFAOYSA-N |
| SMILES | O=C1CCCCCN1C(=O)c1ccccc1 |
| 折射率 | 1.559 |
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。
|
~98%
2H-Azepin-2-one... 6248-28-8 |
| 文献:Gigant, Nicolas; Gillaizeau, Isabelle Organic Letters, 2012 , vol. 14, # 17 p. 4622 - 4625 |
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~94%
2H-Azepin-2-one... 6248-28-8 |
| 文献:Clariant GmbH Patent: US6028192 A1, 2000 ; |
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~%
2H-Azepin-2-one... 6248-28-8 |
| 文献:Hall et al. Journal of the American Chemical Society, 1958 , vol. 80, p. 6420,6421 |
|
~68%
2H-Azepin-2-one... 6248-28-8 |
| 文献:Wang, Long; Fu, Hua; Jiang, Yuyang; Zhao, Yufen Chemistry - A European Journal, 2008 , vol. 14, # 34 p. 10722 - 10726 |
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~%
2H-Azepin-2-one... 6248-28-8 |
| 文献:MaGee, David I.; Ramaseshan, Mahesh; Leach, James D. Canadian Journal of Chemistry, 1995 , vol. 73, # 12 p. 2111 - 2118 |
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~%
2H-Azepin-2-one... 6248-28-8 |
| 文献:Ruzicka Helvetica Chimica Acta, 1921 , vol. 4, p. 491 |
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~%
2H-Azepin-2-one... 6248-28-8 |
| 文献:Tangari, Nicola; Giovine, Maria; Morlacchi, Flaviano; Vetuschi, Claudio Gazzetta Chimica Italiana, 1985 , vol. 115, # 6 p. 325 - 328 |
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~%
2H-Azepin-2-one... 6248-28-8 |
| 文献:MaGee, David I.; Ramaseshan, Mahesh; Leach, James D. Canadian Journal of Chemistry, 1995 , vol. 73, # 12 p. 2111 - 2118 |
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。
| 2H-Azepin-2-one,1-benzoylhexahydro上游产品 8 | |
|---|---|
| 2H-Azepin-2-one,1-benzoylhexahydro下游产品 2 | |
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: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:A screen for compounds that inhibit the activity of LtaS in Staphylococcus aureus
来源:ICCB-Longwood/NSRB Screening Facility, Harvard Medical School
External Id:HMS979
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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: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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实验名称:Fluorescence polarization-based biochemical high throughput primary assay to identify...
来源:The Scripps Research Institute Molecular Screening Center
靶标:RecName: Full=Sialate O-acetylesterase; AltName: Full=H-Lse; AltName: Full=Sialic acid-specific 9-O-acetylesterase; Flags: Precursor [Homo sapiens]
External Id:SIAE_INH_FP_1536_1X%INH PRUN
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实验名称:uHTS identification of small molecule modulators of NR3A
来源:Burnham Center for Chemical Genomics
靶标:N/A
External Id:SBCCG-A1015-NR3A-Primary-Assay
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实验名称:uHTS identification of small molecule modulators of Rev-erb Alpha.
来源:Burnham Center for Chemical Genomics
靶标:N/A
External Id:SBCCG-A1016-RevErbaLBD-Primary-Assay
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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。
| N-benzoyl-6-hexanelactam |
| N-benzoylcaprolactam |
| 1-benzoyl-hexahydro-azepin-2-one |
| 1-Benzoyl-hexahydro-azepin-2-on |
| 1-benzoyl-azepan-2-one |
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: 6248-28-8的上游原料有哪些? |
| A: 6248-28-8相关上游原料(CAS):105-60-2;501-53-1;98-88-4;7087-68-5;100-52-7;3653-39-2;55-21-0;159756-64-6。 |
| Q: 6248-28-8的下游产品有哪些? |
| A: 6248-28-8相关下游产品(CAS):105-60-2;2772-60-3。 |
| Q: 6248-28-8的分子式是什么? |
| A: 6248-28-8分子式为C13H15NO2。 |
| Q: 6248-28-8的InChIKey是什么? |
| A: 6248-28-8InChIKey为FEFQUIPMKBPKAR-UHFFFAOYSA-N。 |
| Q: 6248-28-8的LogP(油水分配系数)是多少? |
| A: 6248-28-8LogP(油水分配系数)为2.16730。 |
| Q: 6248-28-8有哪些英文别名? |
| A: 6248-28-8英文别名有:N-benzoyl-6-hexanelactam、 N-benzoylcaprolactam、 1-benzoyl-hexahydro-azepin-2-one、 1-Benzoyl-hexahydro-azepin-2-on、 1-benzoyl-azepan-2-one。 |
| Q: 6248-28-8的CAS号是多少? |
| A: 6248-28-8CAS号为6248-28-8。 |
| Q: 6248-28-8的SMILES表达式是什么? |
| A: 6248-28-8SMILES表达式为O=C1CCCCCN1C(=O)c1ccccc1。 |
| Q: 6248-28-8的沸点是多少? |
| A: 6248-28-8沸点为374.1ºC at 760 mmHg。 |
| Q: 6248-28-8的分子量是多少? |
| A: 6248-28-8分子量为217.26400。 |