1,2-Naphthalenedione,4-[(4-methylphenyl)amino]结构式
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常用名 | 1,2-Naphthalenedione,4-[(4-methylphenyl)amino] | 英文名 | 1,2-Naphthalenedione,4-[(4-methylphenyl)amino] |
|---|---|---|---|---|
| CAS号 | 69085-39-8 | 分子量 | 263.29100 | |
| 密度 | 1.304g/cm3 | 沸点 | 440.7ºC at 760 mmHg | |
| 分子式 | C17H13NO2 | 熔点 | N/A | |
| MSDS | N/A | 闪点 | 170.9ºC |
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 | 4-(4-methylanilino)naphthalene-1,2-dione |
|---|---|
| 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 | 1.304g/cm3 |
|---|---|
| 沸点 | 440.7ºC at 760 mmHg |
| 分子式 | C17H13NO2 |
| 分子量 | 263.29100 |
| 闪点 | 170.9ºC |
| 精确质量 | 263.09500 |
| PSA | 46.17000 |
| LogP | 3.28640 |
| InChIKey | ICGLGYCHUQDWMB-UHFFFAOYSA-N |
| SMILES | Cc1ccc(NC2=CC(=O)C(=O)c3ccccc32)cc1 |
| 折射率 | 1.688 |
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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~45%
1,2-Naphthalene... 69085-39-8 |
| 文献:Singh, Prachi; Baheti, Abhishek; Thomas, K. R. Justin Journal of Organic Chemistry, 2011 , vol. 76, # 15 p. 6134 - 6145 |
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~%
1,2-Naphthalene... 69085-39-8 |
| 文献:Fieser Journal of the American Chemical Society, 1926 , vol. 48, p. 2927,2929 Journal of the American Chemical Society, 1928 , vol. 50, p. 439,443 |
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~%
1,2-Naphthalene... 69085-39-8 |
| 文献:Fieser Journal of the American Chemical Society, 1926 , vol. 48, p. 2927,2929 Journal of the American Chemical Society, 1928 , vol. 50, p. 439,443 |
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~%
1,2-Naphthalene... 69085-39-8 |
| 文献:Soc.St.Denis; Wahl; Lantz Patent: DE415319 ; Fortschr. Teerfarbenfabr. Verw. Industriezweige, vol. 15, p. 315 |
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~%
1,2-Naphthalene... 69085-39-8 |
| 文献:Fieser Journal of the American Chemical Society, 1926 , vol. 48, p. 2927,2929 Journal of the American Chemical Society, 1928 , vol. 50, p. 439,443 |
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 5 | |
|---|---|
| 下游产品 3 | |
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:Fluorescence polarization-based biochemical high throughput confirmation assay to ide...
来源:The Scripps Research Institute Molecular Screening Center
靶标:abhydrolase domain-containing protein 4 isoform 1 [Mus musculus]
External Id:ABHD4_INH_FP_1536_3X%INH CRUN
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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。
| 4-(4-Toluidino)-1,2-naphthalenedione |
| 4-p-tolylamino-[1,2]naphthoquinone |
| 4-p-toluidino-[1,2]naphthoquinone |
| 4-p-Toluidino-[1,2]naphthochinon |
| 2-Oxy-naphthochinon-(1.4)-(p-tolylimid)-(4) |
| 2-hydroxy-4-[(4-methylphenyl)imino]-1(4H)-naphthalenone |
| 4-(p-toluidino)naphthalene-1,2-dione |
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: 69085-39-8的上游原料有哪些? |
| A: 69085-39-8相关上游原料(CAS):106-49-0;524-42-5;36417-25-1;18916-57-9;7732-18-5。 |
| Q: 69085-39-8的LogP(油水分配系数)是多少? |
| A: 69085-39-8LogP(油水分配系数)为3.28640。 |
| Q: 69085-39-8的分子量是多少? |
| A: 69085-39-8分子量为263.29100。 |
| Q: 69085-39-8的SMILES表达式是什么? |
| A: 69085-39-8SMILES表达式为Cc1ccc(NC2=CC(=O)C(=O)c3ccccc32)cc1。 |
| Q: 69085-39-8的InChIKey是什么? |
| A: 69085-39-8InChIKey为ICGLGYCHUQDWMB-UHFFFAOYSA-N。 |
| Q: 69085-39-8的CAS号是多少? |
| A: 69085-39-8CAS号为69085-39-8。 |
| Q: 69085-39-8的沸点是多少? |
| A: 69085-39-8沸点为440.7ºC at 760 mmHg。 |
| Q: 69085-39-8的中文名称是什么? |
| A: 69085-39-8的中文名称为69085-39-8。 |
| Q: 69085-39-8有哪些英文别名? |
| A: 69085-39-8英文别名有:4-(4-Toluidino)-1,2-naphthalenedione、 4-p-tolylamino-[1,2]naphthoquinone、 4-p-toluidino-[1,2]naphthoquinone、 4-p-Toluidino-[1,2]naphthochinon、 2-Oxy-naphthochinon-(1.4)-(p-tolylimid)-(4)、 2-hydroxy-4-[(4-methylphenyl)imino]-1(4H)-naphthalenone、 4-(p-toluidino)naphthalene-1,2-dione。 |
| Q: 69085-39-8的分子式是什么? |
| A: 69085-39-8分子式为C17H13NO2。 |