6-甲基-2,3,4,9-四氢-1H-咔唑-1-酮结构式
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常用名 | 6-甲基-2,3,4,9-四氢-1H-咔唑-1-酮 | 英文名 | 6-Methyl-2,3,4,9-tetrahydro-carbazol-1-one |
|---|---|---|---|---|
| CAS号 | 3449-48-7 | 分子量 | 199.248 | |
| 密度 | 1.2±0.1 g/cm3 | 沸点 | 396.7±11.0 °C at 760 mmHg | |
| 分子式 | C13H13NO | 熔点 | N/A | |
| MSDS | N/A | 闪点 | 200.5±26.7 °C |
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。
| 中文名 | 6-甲基-2,3,4,9-四氢-1H-咔唑-1-酮 |
|---|---|
| 英文名 | 6-methyl-2,3,4,9-tetrahydrocarbazol-1-one |
| 中文别名 | 1H-咔唑-1-酮,2,3,4,9-四氢-6-甲基 |
| 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 | 1.2±0.1 g/cm3 |
|---|---|
| 沸点 | 396.7±11.0 °C at 760 mmHg |
| 分子式 | C13H13NO |
| 分子量 | 199.248 |
| 闪点 | 200.5±26.7 °C |
| 精确质量 | 199.099716 |
| PSA | 32.86000 |
| LogP | 3.00 |
| InChIKey | ITWUGZSJDMBOPH-UHFFFAOYSA-N |
| SMILES | Cc1ccc2[nH]c3c(c2c1)CCCC3=O |
| 蒸汽压 | 0.0±0.9 mmHg at 25°C |
| 折射率 | 1.669 |
| 储存条件 | 室温,干燥密封 |
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 | 2933990090 |
|---|
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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~91%
6-甲基-2,3,4,9-四氢... 3449-48-7 |
| 文献:Sheng, Rong; Shen, Li; Chen, You-Qin; Hu, Yong-Zhou Synthetic Communications, 2009 , vol. 39, # 6 p. 1120 - 1127 |
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~%
6-甲基-2,3,4,9-四氢... 3449-48-7 |
| 文献:Gudmundsson, Kristjan Patent: US2009/170923 A1, 2009 ; |
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~37%
6-甲基-2,3,4,9-四氢... 3449-48-7 |
| 文献:Zhao, Liyun; Mullen, Kathleen M; Chmielewski, Michal J.; Brown, Asha; Bampos, Nick; Beer, Paul D.; Davis, Jason J. New Journal of Chemistry, 2009 , vol. 33, # 4 p. 760 - 768 |
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~67%
6-甲基-2,3,4,9-四氢... 3449-48-7 |
| 文献:Gazengel; Lancelot; Rault; Robba Journal of Heterocyclic Chemistry, 1990 , vol. 27, # 7 p. 1947 - 1951 |
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~%
6-甲基-2,3,4,9-四氢... 3449-48-7 |
| 文献:Chakraborty, Suchandra; Chattopadhyay, Gautam; Saha, Chandan Journal of Heterocyclic Chemistry, 2011 , vol. 48, # 2 p. 331 - 338 |
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~%
6-甲基-2,3,4,9-四氢... 3449-48-7 |
| 文献:Shi, Hao; Guo, Tianjian; Zhang-Negrerie, Daisy; Du, Yunfei; Zhao, Kang Tetrahedron, 2014 , vol. 70, # 17 p. 2753 - 2760 |
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~%
6-甲基-2,3,4,9-四氢... 3449-48-7 |
| 文献:Bloink; Pausacker Journal of the Chemical Society, 1950 , p. 1328,1330 |
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~%
6-甲基-2,3,4,9-四氢... 3449-48-7
查看详情
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| 文献:Martin, Arputharaj Ebenezer; Prasad, Karnam Jayarampillai Rajendra Journal of Chemical Research, 2007 , # 11 p. 653 - 656 |
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。
| 6-甲基-2,3,4,9-四氢-1H-咔唑-1-酮上游产品 10 | |
|---|---|
| 6-甲基-2,3,4,9-四氢-1H-咔唑-1-酮下游产品 7 | |
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 | 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% |
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: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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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。
| 6-methyl-1,2,3,4-tetrahydrocarbazol-1-one |
| 6-Methyl-2,3,4,9-tetrahydro-1H-carbazol-1-one |
| 6-methyl-2,3,4,9-tetrahydro-carbazol-1-one |
| 1-keto-1,2,3,4-tetrahydro-6-methylcarbazole |
| 6-methyl-1-oxo-2,3,4,9-tetrahydrocarbazole |
| 1,2,3,4-tetrahydro-6-methylcarbazol-1-one |
| 6-methyl-1-oxo-1,2,3,4-tetrahydrocarbazole |
| 1H-Carbazol-1-one,2,3,4,9-tetrahydro-6-methyl |
| 6-methyl-2,3,4,9-tetrahydro-4aH-carbazol-1-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: 6-甲基-2,3,4,9-四氢-1H-咔唑-1-酮有哪些中文别名? |
| A: 6-甲基-2,3,4,9-四氢-1H-咔唑-1-酮中文别名有:1H-咔唑-1-酮,2,3,4,9-四氢-6-甲基。 |
| Q: 6-甲基-2,3,4,9-四氢-1H-咔唑-1-酮的极性表面积PSA是多少? |
| A: 6-甲基-2,3,4,9-四氢-1H-咔唑-1-酮极性表面积PSA为32.86000。 |
| Q: 6-甲基-2,3,4,9-四氢-1H-咔唑-1-酮有哪些英文别名? |
| A: 6-甲基-2,3,4,9-四氢-1H-咔唑-1-酮英文别名有:6-methyl-1,2,3,4-tetrahydrocarbazol-1-one、6-Methyl-2,3,4,9-tetrahydro-1H-carbazol-1-one、6-methyl-2,3,4,9-tetrahydro-carbazol-1-one、1-keto-1,2,3,4-tetrahydro-6-methylcarbazole、6-methyl-1-oxo-2,3,4,9-tetrahydrocarbazole、1,2,3,4-tetrahydro-6-methylcarbazol-1-one、6-methyl-1-oxo-1,2,3,4-tetrahydrocarbazole、1H-Carbazol-1-one,2,3,4,9-tetrahydro-6-methyl、6-methyl-2,3,4,9-tetrahydro-4aH-carbazol-1-one。 |
| Q: 6-甲基-2,3,4,9-四氢-1H-咔唑-1-酮的InChIKey是什么? |
| A: 6-甲基-2,3,4,9-四氢-1H-咔唑-1-酮InChIKey为ITWUGZSJDMBOPH-UHFFFAOYSA-N。 |
| Q: 6-甲基-2,3,4,9-四氢-1H-咔唑-1-酮的下游产品有哪些? |
| A: 6-甲基-2,3,4,9-四氢-1H-咔唑-1-酮相关下游产品(CAS):248246-35-7;118499-01-7;121593-92-8;118498-98-9;118498-97-8;16154-78-2;4630-20-0。 |
| Q: 3449-48-7的中文名称是什么? |
| A: 3449-48-7的中文名称为6-甲基-2,3,4,9-四氢-1H-咔唑-1-酮。 |
| Q: 6-甲基-2,3,4,9-四氢-1H-咔唑-1-酮的LogP(油水分配系数)是多少? |
| A: 6-甲基-2,3,4,9-四氢-1H-咔唑-1-酮LogP(油水分配系数)为3.00。 |
| Q: 6-甲基-2,3,4,9-四氢-1H-咔唑-1-酮的储存条件是什么? |
| A: 6-甲基-2,3,4,9-四氢-1H-咔唑-1-酮储存条件:室温,干燥密封。 |
| Q: 6-甲基-2,3,4,9-四氢-1H-咔唑-1-酮的分子量是多少? |
| A: 6-甲基-2,3,4,9-四氢-1H-咔唑-1-酮分子量为199.248。 |
| Q: 6-甲基-2,3,4,9-四氢-1H-咔唑-1-酮的英文名称是什么? |
| A: 6-甲基-2,3,4,9-四氢-1H-咔唑-1-酮英文名称为6-methyl-2,3,4,9-tetrahydrocarbazol-1-one。 |
本表列出该化合物相关生产厂商、供应商信息,包含厂家名称、产品供应相关参考信息。
| 上海阿拉丁生化科技股份有限公司 |
| 上海化源世纪贸易有限公司 |