4-苄基-4-羟基哌啶结构式
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常用名 | 4-苄基-4-羟基哌啶 | 英文名 | 4-Benzyl-4-hydroxypiperidine |
|---|---|---|---|---|
| CAS号 | 51135-96-7 | 分子量 | 191.26900 | |
| 密度 | 1.085g/cm3 | 沸点 | 329ºC at 760mmHg | |
| 分子式 | C12H17NO | 熔点 | 80-85 °C | |
| MSDS | N/A | 闪点 | 128.4ºC |
| 中文名 | 4-苄基-4-羟基哌啶 |
|---|---|
| 英文名 | 4-Benzyl-4-hydroxypiperidine |
| 英文别名 | 更多 |
| 密度 | 1.085g/cm3 |
|---|---|
| 沸点 | 329ºC at 760mmHg |
| 熔点 | 80-85 °C |
| 分子式 | C12H17NO |
| 分子量 | 191.26900 |
| 闪点 | 128.4ºC |
| 精确质量 | 191.13100 |
| PSA | 32.26000 |
| LogP | 1.67240 |
| InChIKey | KJZBZOFESQSBCV-UHFFFAOYSA-N |
| SMILES | OC1(Cc2ccccc2)CCNCC1 |
| 储存条件 | 保持贮藏器密封、储存在阴凉、干燥的地方,确保工作间有良好的通风或排气装置 |
| 稳定性 | 如果遵照规格使用和储存则不会分解,未有已知危险反应 |
| 计算化学 | 1.疏水参数计算参考值(XlogP):1.4 2.氢键供体数量:2 3.氢键受体数量:2 4.可旋转化学键数量:2 5.互变异构体数量:无 6.拓扑分子极性表面积32.3 7.重原子数量:14 8.表面电荷:0 9.复杂度:169 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 |
| 更多 | 1. 性状:粉末 2. 密度(g/mL,25ºC):未确定 3. 相对蒸汽密度(g/mL,空气=1): 未确定 4. 熔点(ºC):未确定 5. 沸点(ºC):未确定 6. 沸点(ºC,15mm hg):未确定 7. 折射率:未确定 8. 闪点(°C):未确定 9. 比旋光度(ºC):未确定 10. 自燃点或引燃温度(ºC): 未确定 11. 蒸气压(kPa,20ºC):未确定 12. 饱和蒸气压(kPa,60ºC):未确定 13. 燃烧热(KJ/mol):未确定 14. 临界温度(ºC):未确定 15. 临界压力(KPa):未确定 16. 油水(辛醇/水)分配系数的对数值:未确定 17. 爆炸上限(%,V/V):未确定 18. 爆炸下限(%,V/V):未确定 19. 溶解性:未确定 |
| 危害码 (欧洲) | Xn:Harmful; |
|---|---|
| 风险声明 (欧洲) | R36/37/38 |
| 安全声明 (欧洲) | S37/39-S26 |
| RTECS号 | TN6836000 |
| 海关编码 | 2933399090 |
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4-苄基-4-羟基哌啶 51135-96-7 |
| 文献:Ciba-Geigy Corporation Patent: US4104396 A1, 1978 ; Title/Abstract Full Text Show Details Ciba-Geigy Corporation Patent: US4039676 A1, 1977 ; |
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4-苄基-4-羟基哌啶 51135-96-7 |
| 文献:Van Niel, Monique B.; Collins, Ian; Beer, Margaret S.; Broughton, Howard B.; Cheng, Susan K. F.; Goodacre, Simon C.; Heald, Anne; Locker, Karen L.; MacLeod, Angus M.; Morrison, Denise; Moyes, Christopher R.; O'Connor, Desmond; Pike, Andrew; Rowley, Michael; Russell, Michael G. N.; Sohal, Baibinder; Stanton, Josephine A.; Thomas, Steven; Verrier, Hugh; Watt, Alan P.; Castro, Jose L. Journal of Medicinal Chemistry, 1999 , vol. 42, # 12 p. 2087 - 2104 |
| 4-苄基-4-羟基哌啶上游产品 4 | |
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| 4-苄基-4-羟基哌啶下游产品 0 | |
| 海关编码 | 2933399090 |
|---|---|
| 中文概述 | 2933399090. 其他结构含非稠合吡啶环的化合物. 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 | 2933399090. other compounds containing an unfused pyridine ring (whether or not hydrogenated) in the structure. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0% |
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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: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:Antibacterial activity against Klebsiella pneumoniae MDR ATCC 70063 (CO-ADD:GN_003); ...
来源:ChEMBL
靶标:Klebsiella pneumoniae
External Id:CHEMBL4296186
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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: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:Identifying Sarm1 TIR NADase inhibitors through high throughput HPLC assay
来源:24386
靶标:N/A
External Id:Sarm1 TIR NADase inhibitors
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| 4-Benzylpiperidin-4-ol |
| 4-BENZYL-4-HYDROXYPIPERIDINE |
| EINECS 257-003-7 |
| MFCD00023147 |