1H-吡咯-2-甲酰肼结构式
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常用名 | 1H-吡咯-2-甲酰肼 | 英文名 | 1H-Pyrrole-2-carbohydrazide |
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| CAS号 | 50269-95-9 | 分子量 | 125.12900 | |
| 密度 | 1.313g/cm3 | 沸点 | N/A | |
| 分子式 | C5H7N3O | 熔点 | 232ºC | |
| MSDS | N/A | 闪点 | N/A |
| 中文名 | 1H-吡咯-2-羧肼 |
|---|---|
| 英文名 | 1H-Pyrrole-2-carbohydrazide |
| 中文别名 | 2-吡咯甲酰肼 | 1H-吡咯-2-甲酰肼 |
| 英文别名 | 更多 |
| 密度 | 1.313g/cm3 |
|---|---|
| 熔点 | 232ºC |
| 分子式 | C5H7N3O |
| 分子量 | 125.12900 |
| 精确质量 | 125.05900 |
| PSA | 70.91000 |
| LogP | 0.70940 |
| InChIKey | FQIAWPZQJCAPSW-UHFFFAOYSA-N |
| SMILES | NNC(=O)c1ccc[nH]1 |
| 折射率 | 1.614 |
| 计算化学 | 1.疏水参数计算参考值(XlogP):无 2.氢键供体数量:3 3.氢键受体数量:2 4.可旋转化学键数量:1 5.互变异构体数量:9 6.拓扑分子极性表面积:70.9 7.重原子数量:9 8.表面电荷:0 9.复杂度:115 10.同位素原子数量:0 11.确定原子立构中心数量:0 12.不确定原子立构中心数量:0 13.确定化学键立构中心数量:0 14.不确定化学键立构中心数量:0 15.共价键单元数量:1 |
| 危害码 (欧洲) | Xn:Harmful; |
|---|---|
| 风险声明 (欧洲) | R20/21/22 |
| 安全声明 (欧洲) | S36/37 |
| 海关编码 | 2933990090 |
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1H-吡咯-2-甲酰肼 50269-95-9 |
| 文献:Dydio, Pawel; Zielinski, Tomasz; Jurczak, Janusz Journal of Organic Chemistry, 2009 , vol. 74, # 4 p. 1525 - 1530 |
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1H-吡咯-2-甲酰肼 50269-95-9 |
| 文献:NEUROSEARCH A/S; PETERS, Dan; TIMMERMANN, Daniel, B.; NIELSEN, Elsebet, OEstergaard; DYHRING, Tino; AHRING, Philip, K. Patent: WO2011/73296 A1, 2011 ; Location in patent: Page/Page column 16 ; WO 2011/073296 A1 |
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1H-吡咯-2-甲酰肼 50269-95-9 |
| 文献:Ding, Hui; Roberts, Andrew G.; Harran, Patrick G. Angewandte Chemie - International Edition, 2012 , vol. 51, # 18 p. 4340 - 4343 |
| 1H-吡咯-2-甲酰肼上游产品 3 | |
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| 1H-吡咯-2-甲酰肼下游产品 1 | |
| 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% |
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实验名称:Antitubercular activity against Mycobacterium tuberculosis BCG
来源:ChEMBL
靶标:Mycobacterium tuberculosis
External Id:CHEMBL3096848
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实验名称:Discovery of Small Molecules to Inhibit Human Cytomegalovirus Nuclear Egress
来源:ICCB-Longwood/NSRB Screening Facility, Harvard Medical School
靶标:HCMV UL50
External Id:HMS1262
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实验名称:Chemical Probes of Kaposi's Sarcoma Herpes Virus Latent Infection
来源:ICCB-Longwood/NSRB Screening Facility, Harvard Medical School
靶标:ORF 73 [Human herpesvirus 8 type M]
External Id:HMS791
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实验名称:High-throughput screen for inhibitors of the GIV GBA-motif interaction with Galpha-i ...
来源:ICCB-Longwood/NSRB Screening Facility, Harvard Medical School
External Id:HMS1303
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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:A screen for compounds that inhibit viral RNA polymerase binding and polymerization a...
来源:ICCB-Longwood/NSRB Screening Facility, Harvard Medical School
靶标:Chain A, Poliovirus Polymerase With Gtp
External Id:HMS750
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| 1h-pyrrole-2-carbohydrazide |