3-(4-chlorophenyl)-1-cyclohexyl-urea结构式
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常用名 | 3-(4-chlorophenyl)-1-cyclohexyl-urea | 英文名 | 3-(4-chlorophenyl)-1-cyclohexyl-urea |
|---|---|---|---|---|
| CAS号 | 72802-46-1 | 分子量 | 252.74000 | |
| 密度 | 1.2g/cm3 | 沸点 | 360.8ºC at 760 mmHg | |
| 分子式 | C13H17ClN2O | 熔点 | N/A | |
| MSDS | N/A | 闪点 | 172ºC |
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-(4-chlorophenyl)-3-cyclohexylurea |
|---|
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 | 1.2g/cm3 |
|---|---|
| 沸点 | 360.8ºC at 760 mmHg |
| 分子式 | C13H17ClN2O |
| 分子量 | 252.74000 |
| 闪点 | 172ºC |
| 精确质量 | 252.10300 |
| PSA | 41.13000 |
| LogP | 4.25810 |
| InChIKey | HMLXMYNUQCOEDG-UHFFFAOYSA-N |
| SMILES | O=C(Nc1ccc(Cl)cc1)NC1CCCCC1 |
| 折射率 | 1.572 |
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 | 2924299090 |
|---|
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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~84%
3-(4-chlorophen... 72802-46-1 |
| 文献:McElroy, Nathan R.; Jurs, Peter C.; Morisseau, Christophe; Hammock, Bruce D. Journal of Medicinal Chemistry, 2003 , vol. 46, # 6 p. 1066 - 1080 Title/Abstract View citing articles Show Details Morisseau, Christophe; Goodrow, Marvin H.; Newman, John W.; Wheelock, Craig E.; Dowdy, Deanna L.; Hammock, Bruce D. Biochemical Pharmacology, 2002 , vol. 63, # 9 p. 1599 - 1608 |
|
~%
3-(4-chlorophen... 72802-46-1 |
| 文献:Patonay, Tamas; Patonay-Peli, Erzsebet; Zolnai, Laszlo; Mogyorodi, Ferenc Synthetic Communications, 1996 , vol. 26, # 22 p. 4253 - 4265 |
|
~%
3-(4-chlorophen... 72802-46-1 |
| 文献:Sah Journal of the Chinese Chemical Society (Peking), 1946 , vol. 13, p. 22,26,27 Recueil des Travaux Chimiques des Pays-Bas, 1940 , vol. 59, p. 231,233,234 |
|
~45%
3-(4-chlorophen... 72802-46-1 |
| 文献:Zhu, Tong-Hao; Xu, Xiao-Ping; Cao, Jia-Jia; Wei, Tian-Qi; Wang, Shun-Yi; Ji, Shun-Jun Advanced Synthesis and Catalysis, 2014 , vol. 356, # 2-3 p. 509 - 518 |
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。
| 3-(4-chlorophenyl)-1-cyclohexyl-urea上游产品 5 | |
|---|---|
| 3-(4-chlorophenyl)-1-cyclohexyl-urea下游产品 0 | |
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 | 2924299090 |
|---|---|
| 中文概述 | 2924299090. 其他环酰胺(包括环氨基甲酸酯)(包括其衍生物以及他们的盐). 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:30.0% |
| 申报要素 | 品名, 成分含量, 用途, 包装 |
| Summary | 2924299090. other cyclic amides (including cyclic carbamates) and their derivatives; salts thereof. VAT:17.0%. Tax rebate rate:13.0%. . 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: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:Dicer-mediated maturation of pre-microRNA
来源:Center for Chemical Genomics, University of Michigan
靶标:N/A
External Id:TargetID_659_CEMA
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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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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: 72802-46-1的CAS号是多少? |
| A: 72802-46-1CAS号为72802-46-1。 |
| Q: 72802-46-1的SMILES表达式是什么? |
| A: 72802-46-1SMILES表达式为O=C(Nc1ccc(Cl)cc1)NC1CCCCC1。 |
| Q: 72802-46-1的分子式是什么? |
| A: 72802-46-1分子式为C13H17ClN2O。 |
| Q: 72802-46-1的InChIKey是什么? |
| A: 72802-46-1InChIKey为HMLXMYNUQCOEDG-UHFFFAOYSA-N。 |
| Q: 72802-46-1的分子量是多少? |
| A: 72802-46-1分子量为252.74000。 |
| Q: 72802-46-1的沸点是多少? |
| A: 72802-46-1沸点为360.8ºC at 760 mmHg。 |
| Q: 72802-46-1的中文名称是什么? |
| A: 72802-46-1的中文名称为72802-46-1。 |
| Q: 72802-46-1的LogP(油水分配系数)是多少? |
| A: 72802-46-1LogP(油水分配系数)为4.25810。 |
| Q: 72802-46-1的极性表面积PSA是多少? |
| A: 72802-46-1极性表面积PSA为41.13000。 |
| Q: 72802-46-1的英文名称是什么? |
| A: 72802-46-1英文名称为1-(4-chlorophenyl)-3-cyclohexylurea。 |