(1R)-(+)-诺蒎酮结构式
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常用名 | (1R)-(+)-诺蒎酮 | 英文名 | Bicyclo[3.1.1]heptan-2-one,6,6-dimethyl-, (1R,5S) |
|---|---|---|---|---|
| CAS号 | 38651-65-9 | 分子量 | 138.20700 | |
| 密度 | 0.986g/cm3 | 沸点 | 196.3ºC at 760mmHg | |
| 分子式 | C9H14O | 熔点 | -1 °C | |
| MSDS | 中文版 美版 | 闪点 | 65.5ºC |
| 中文名 | (1R)-(+)-诺蒎酮 |
|---|---|
| 英文名 | (1r)-(+)-nopinone |
| 中文别名 | 6,6-二甲基二环[3.1.1]庚-2-酮 |
| 英文别名 | 更多 |
| 密度 | 0.986g/cm3 |
|---|---|
| 沸点 | 196.3ºC at 760mmHg |
| 熔点 | -1 °C |
| 分子式 | C9H14O |
| 分子量 | 138.20700 |
| 闪点 | 65.5ºC |
| 精确质量 | 138.10400 |
| PSA | 17.07000 |
| LogP | 2.01160 |
| InChIKey | XZFDKWMYCUEKSS-BQBZGAKWSA-N |
| SMILES | CC1(C)C2CCC(=O)C1C2 |
| 外观性状 | 无色液体 |
| 折射率 | n20/D 1.479(lit.) |
| 储存条件 | 2-8°C,干燥 |
| 分子结构 | 1、 摩尔折射率:39.78 2、 摩尔体积(cm3/mol):140.1 3、 等张比容(90.2K):328.7 4、 表面张力(dyne/cm):30.3 5、 极化率:15.77 6、 介电常数:未确定 |
| 计算化学 | 1.疏水参数计算参考值(XlogP):1.6 2.氢键供体数量:0 3.氢键受体数量:1 4.可旋转化学键数量:0 5.互变异构体数量:2 6.拓扑分子极性表面积17.1 7.重原子数量:10 8.表面电荷:0 9.复杂度:181 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:2 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 |
| 个人防护装备 | Eyeshields;Gloves;half-mask respirator (US);multi-purpose combination respirator cartridge (US) |
|---|---|
| 危害码 (欧洲) | Xi: Irritant; |
| 危险品运输编码 | NONH for all modes of transport |
| 海关编码 | 2914299000 |
|
~97%
(1R)-(+)-诺蒎酮 38651-65-9 |
| 文献:Sauer, Anne M.; Crowe, William E.; Henderson, Gregg; Laine, Roger A. Organic Letters, 2009 , vol. 11, # 16 p. 3530 - 3533 |
|
~65%
(1R)-(+)-诺蒎酮 38651-65-9 |
| 文献:Willand-Charnley, Rachel; Fisher, Thomas J.; Johnson, Bradley M.; Dussault, Patrick H. Organic Letters, 2012 , vol. 14, # 9 p. 2242 - 2245 |
|
~%
(1R)-(+)-诺蒎酮 38651-65-9 |
| 文献:Konopelski, Joseph P.; Sundararaman, P.; Barth, Guenter; Djerassi, Carl Journal of the American Chemical Society, 1980 , vol. 102, # 8 p. 2737 - 2745 |
|
~75%
(1R)-(+)-诺蒎酮 38651-65-9 |
| 文献:Clemente-Tejeda, David; Lopez-Moreno, Alejandro; Bermejo, Francisco A. Tetrahedron, 2013 , vol. 69, # 14 p. 2977 - 2986 |
|
~%
(1R)-(+)-诺蒎酮 38651-65-9 |
| 文献:Romanenko; Starokon'; Panov; Tkacheva Russian Chemical Bulletin, 2007 , vol. 56, # 6 p. 1239 - 1243 |
|
~%
(1R)-(+)-诺蒎酮 38651-65-9 |
| 文献:Binder, Caitlin M.; Bautista, April; Zaidlewicz, Marek; Krzeminski, Marek P.; Oliver, Allen; Singaram, Bakthan Journal of Organic Chemistry, 2009 , vol. 74, # 6 p. 2337 - 2343 |
|
~6%
(1R)-(+)-诺蒎酮 38651-65-9 |
| 文献:Huffman; Joyner; Lee; Jordan; Pennington Journal of Organic Chemistry, 1991 , vol. 56, # 6 p. 2081 - 2086 |
|
~17%
(1R)-(+)-诺蒎酮 38651-65-9 |
| 文献:Farooq, Afgan; Hanson, James R. Phytochemistry (Elsevier), 1995 , vol. 40, # 3 p. 815 - 818 |
| (1R)-(+)-诺蒎酮上游产品 4 | |
|---|---|
| (1R)-(+)-诺蒎酮下游产品 6 | |
| 海关编码 | 2914299000 |
|---|---|
| 中文概述 | 2914299000. 其他不含其他含氧基的环烷酮、环烯酮或环萜烯酮. 增值税率:17.0%. 退税率:13.0%. 监管条件:无. 最惠国关税:5.5%. 普通关税:30.0% |
| 申报要素 | 品名, 成分含量, 用途, 丙酮报明包装 |
| Summary | 2914299000. other cyclanic, cyclenic or cyclotherpenic ketones without other oxygen function. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:5.5%. General tariff:30.0% |
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实验名称:Antimicrobial activity against Enterobacter aerogenes after 24 hrs by serial two-fold...
来源:ChEMBL
靶标:Klebsiella aerogenes
External Id:CHEMBL3783614
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实验名称:Antimicrobial activity against Klebsiella pneumoniae after 24 hrs by serial two-fold ...
来源:ChEMBL
靶标:Klebsiella pneumoniae
External Id:CHEMBL3783613
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实验名称:Antimicrobial activity against Candida albicans after 48 hrs by serial two-fold micro...
来源:ChEMBL
靶标:Candida albicans
External Id:CHEMBL3783617
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实验名称:Antimicrobial activity against Staphylococcus epidermidis after 24 hrs by serial two-...
来源:ChEMBL
靶标:Staphylococcus epidermidis
External Id:CHEMBL3783616
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实验名称:Antimicrobial activity against Staphylococcus aureus after 24 hrs by serial two-fold ...
来源:ChEMBL
靶标:Staphylococcus aureus
External Id:CHEMBL3783615
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| 6,6-Dimethylbicyclo[3.1.1]heptan-2-one |
| MFCD08447116 |