2-(5-苯基-2H-1,2,3,4-四唑-2-基)-乙酸乙酯结构式
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常用名 | 2-(5-苯基-2H-1,2,3,4-四唑-2-基)-乙酸乙酯 | 英文名 | ETHYL 2-(5-PHENYL-2H-1,2,3,4-TETRAAZOL-2-YL)ACETATE |
|---|---|---|---|---|
| CAS号 | 21054-65-9 | 分子量 | 232.23900 | |
| 密度 | 1.28g/cm3 | 沸点 | 394.2ºC at 760 mmHg | |
| 分子式 | C11H12N4O2 | 熔点 | 83-85ºC | |
| MSDS | N/A | 闪点 | 192.2ºC |
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 | 2-(5-苯基-2H-1,2,3,4-四唑-2-基)-乙酸乙酯 |
|---|---|
| 英文名 | ethyl 2-(5-phenyltetrazol-2-yl)acetate |
| 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 | 394.2ºC at 760 mmHg |
| 熔点 | 83-85ºC |
| 分子式 | C11H12N4O2 |
| 分子量 | 232.23900 |
| 闪点 | 192.2ºC |
| 精确质量 | 232.09600 |
| PSA | 69.90000 |
| LogP | 0.90320 |
| InChIKey | BHAJMSNEZPPNKN-UHFFFAOYSA-N |
| SMILES | CCOC(=O)Cn1nnc(-c2ccccc2)n1 |
| 蒸汽压 | 2.01E-06mmHg at 25°C |
| 折射率 | 1.618 |
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 |
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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。
| 2-(5-苯基-2H-1,2,3,4-四唑-2-基)-乙酸乙酯上游产品 4 | |
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| 2-(5-苯基-2H-1,2,3,4-四唑-2-基)-乙酸乙酯下游产品 3 | |
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: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: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-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。
| (5-Phenyl-tetrazol-2-yl)-acetic acid ethyl ester |
| 5-phenyl-2-tetrazolylacetic acid ethyl ester |
| ethyl 2-(5-phenyl-1,2,3,4-tetraazol-2-yl)acetate |
| ethyl 5-phenyl-2h-tetrazole-2-acetate |
| ethyl 5-phenyl-2H-tetrazolylacetate |
| 5-Phenyl-tetrazolyl-(2)-essigsaeureethylester |
| ethylphenyltetraazolylacetate |
| ethyl-(5-phenyltetrazol-2-yl)acetate |
| ethyl (5-phenyl-2H-tetrazol-2-yl)acetate |
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: 2-(5-苯基-2H-1,2,3,4-四唑-2-基)-乙酸乙酯的分子式是什么? |
| A: 2-(5-苯基-2H-1,2,3,4-四唑-2-基)-乙酸乙酯分子式为C11H12N4O2。 |
| Q: 2-(5-苯基-2H-1,2,3,4-四唑-2-基)-乙酸乙酯的沸点是多少? |
| A: 2-(5-苯基-2H-1,2,3,4-四唑-2-基)-乙酸乙酯沸点为394.2ºC at 760 mmHg。 |
| Q: 21054-65-9的中文名称是什么? |
| A: 21054-65-9的中文名称为2-(5-苯基-2H-1,2,3,4-四唑-2-基)-乙酸乙酯。 |
| Q: 2-(5-苯基-2H-1,2,3,4-四唑-2-基)-乙酸乙酯的英文名称是什么? |
| A: 2-(5-苯基-2H-1,2,3,4-四唑-2-基)-乙酸乙酯英文名称为ethyl 2-(5-phenyltetrazol-2-yl)acetate。 |
| Q: 2-(5-苯基-2H-1,2,3,4-四唑-2-基)-乙酸乙酯的SMILES表达式是什么? |
| A: 2-(5-苯基-2H-1,2,3,4-四唑-2-基)-乙酸乙酯SMILES表达式为CCOC(=O)Cn1nnc(-c2ccccc2)n1。 |
| Q: 2-(5-苯基-2H-1,2,3,4-四唑-2-基)-乙酸乙酯的InChIKey是什么? |
| A: 2-(5-苯基-2H-1,2,3,4-四唑-2-基)-乙酸乙酯InChIKey为BHAJMSNEZPPNKN-UHFFFAOYSA-N。 |
| Q: 2-(5-苯基-2H-1,2,3,4-四唑-2-基)-乙酸乙酯的下游产品有哪些? |
| A: 2-(5-苯基-2H-1,2,3,4-四唑-2-基)-乙酸乙酯相关下游产品(CAS):21743-68-0;125707-88-2;67037-01-8。 |
| Q: 2-(5-苯基-2H-1,2,3,4-四唑-2-基)-乙酸乙酯的CAS号是多少? |
| A: 2-(5-苯基-2H-1,2,3,4-四唑-2-基)-乙酸乙酯CAS号为21054-65-9。 |
| Q: 2-(5-苯基-2H-1,2,3,4-四唑-2-基)-乙酸乙酯有哪些英文别名? |
| A: 2-(5-苯基-2H-1,2,3,4-四唑-2-基)-乙酸乙酯英文别名有:(5-Phenyl-tetrazol-2-yl)-acetic acid ethyl ester、 5-phenyl-2-tetrazolylacetic acid ethyl ester、 ethyl 2-(5-phenyl-1,2,3,4-tetraazol-2-yl)acetate、 ethyl 5-phenyl-2h-tetrazole-2-acetate、 ethyl 5-phenyl-2H-tetrazolylacetate、 5-Phenyl-tetrazolyl-(2)-essigsaeureethylester、 ethylphenyltetraazolylacetate、 ethyl-(5-phenyltetrazol-2-yl)acetate、 ethyl (5-phenyl-2H-tetrazol-2-yl)acetate。 |
| Q: 2-(5-苯基-2H-1,2,3,4-四唑-2-基)-乙酸乙酯的LogP(油水分配系数)是多少? |
| A: 2-(5-苯基-2H-1,2,3,4-四唑-2-基)-乙酸乙酯LogP(油水分配系数)为0.90320。 |
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。
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