2-(1-金刚烷基)-2-丙醇
2-(1-金刚烷基)-2-丙醇结构式
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常用名 | 2-(1-金刚烷基)-2-丙醇 | 英文名 | 2-(1-Adamantyl)-2-propanol |
|---|---|---|---|---|
| CAS号 | 775-64-4 | 分子量 | 194.313 | |
| 密度 | 1.1±0.1 g/cm3 | 沸点 | 276.2±8.0 °C at 760 mmHg | |
| 分子式 | C13H22O | 熔点 | 75ºC | |
| MSDS | N/A | 闪点 | 127.9±8.6 °C |
| 中文名 | 2-(1-金刚烷基)-2-丙醇 |
|---|---|
| 英文名 | 2-Adamantan-1-yl-propan-2-ol |
| 中文别名 | 2-(1-金刚烷)-2-丙醇 |
| 英文别名 | 更多 |
| 密度 | 1.1±0.1 g/cm3 |
|---|---|
| 沸点 | 276.2±8.0 °C at 760 mmHg |
| 熔点 | 75ºC |
| 分子式 | C13H22O |
| 分子量 | 194.313 |
| 闪点 | 127.9±8.6 °C |
| 精确质量 | 194.167068 |
| PSA | 20.23000 |
| LogP | 3.39 |
| InChIKey | WBKAUEBLTWRERU-UHFFFAOYSA-N |
| SMILES | CC(C)(O)C12CC3CC(CC(C3)C1)C2 |
| 蒸汽压 | 0.0±1.3 mmHg at 25°C |
| 折射率 | 1.543 |
| 计算化学 | 1.疏水参数计算参考值（XlogP）:3.1 2.氢键供体数量:1 3.氢键受体数量:1 4.可旋转化学键数量:1 5.互变异构体数量:无 6.拓扑分子极性表面积:20.2 7.重原子数量:14 8.表面电荷:0 9.复杂度:213 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 |
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~34%
2-(1-金刚烷基)-2-丙醇 775-64-4 |
| 文献：Yurchenko, A. G.; Fedorenko, T. V. Journal of Organic Chemistry USSR (English Translation), 1987 , vol. 23, # 5 p. 875 - 880 Zhurnal Organicheskoi Khimii, 1987 , vol. 23, # 5 p. 970 - 976 |
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~0%
2-(1-金刚烷基)-2-丙醇 775-64-4
详细
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| 文献：Mutulis, F. K.; Polis, Ya. Yu.; Raquel', B. P.; Sekatsis, I. P.; Mishnev, A. F.; Chipens, G. I. Journal of Organic Chemistry USSR (English Translation), 1989 , vol. 25, # 3.2 p. 501 - 506 Zhurnal Organicheskoi Khimii, 1989 , vol. 25, # 3 p. 558 - 565 |
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~37%
2-(1-金刚烷基)-2-丙醇 775-64-4 |
| 文献：Molecules, , vol. 17, # 6 p. 6415 - 6423 |
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~%
2-(1-金刚烷基)-2-丙醇 775-64-4 |
| 文献：Journal of Organic Chemistry, , vol. 53, # 2 p. 432 - 434 |
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~83%
2-(1-金刚烷基)-2-丙醇 775-64-4 |
| 文献：Flamm-ter Meer, Manuela A.; Beckhaus, Hans-Dieter; Peters, Karl; Schnering, Hans-Georg von; Ruechardt, Christoph Chemische Berichte, 1985 , vol. 118, # 12 p. 4665 - 4673 |
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~85%
2-(1-金刚烷基)-2-丙醇 775-64-4 |
| 文献：Heinzel, Wolfgang; Kronbach, Thomas; Voelter, Wolfgang Zeitschrift fuer Naturforschung, Teil B: Anorganische Chemie, Organische Chemie, 1982 , vol. 37, # 12 p. 1652 - 1658 |
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~%
2-(1-金刚烷基)-2-丙醇 775-64-4 |
| 文献：Journal of Organic Chemistry USSR (English Translation), , vol. 23, # 5 p. 875 - 880 Zhurnal Organicheskoi Khimii, , vol. 23, # 5 p. 970 - 976 |
|
~%
2-(1-金刚烷基)-2-丙醇 775-64-4 |
| 文献：Journal of medicinal chemistry, , vol. 14, # 6 p. 535 - 543 |
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~%
2-(1-金刚烷基)-2-丙醇 775-64-4 |
| 文献：Tetrahedron, , vol. 27, p. 3 - 18 |
![1,3-bis(tricyclo[3.3.1.1(3,7)]dec-1-yl)propan-1,3-dione结构式](https://image.chemsrc.com/caspic/282/82094-53-9.png)
| 2-(1-金刚烷基)-2-丙醇上游产品 10 | |
|---|---|
| 2-(1-金刚烷基)-2-丙醇下游产品 6 | |
CAS号880-49-9
CAS号120626-27-9
CAS号773-32-0
CAS号68388-88-5| 海关编码 | 2906199090 |
|---|---|
| 中文概述 | 2906199090. 其他环烷醇，环烯醇及环萜烯醇. 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 |
| Summary | 2906199090. cyclanic, cyclenic or cyclotherpenic alcohols. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:5.5%. General tariff:30.0% |
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实验名称：Cell-based high throughput primary assay to identify activators of GPR151
来源：The Scripps Research Institute Molecular Screening Center
靶标：RecName: Full=G-protein coupled receptor 151; AltName: Full=G-protein coupled receptor PGR7; AltName: Full=GPCR-2037; AltName: Full=Galanin receptor 4; AltName: Full=Galanin-receptor-like protein; Short=GalRL
External Id：GPR151_PHUNTER_AG_LUMI_1536_1X%ACT
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实验名称：AlphaScreen-based biochemical high throughput primary assay to identify activators of...
来源：The Scripps Research Institute Molecular Screening Center
靶标：N/A
External Id：FBW7_ACT_ALPHA_1536_1X%ACT PRUN
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实验名称：AlphaScreen-based biochemical high throughput primary assay to identify inhibitors of...
来源：The Scripps Research Institute Molecular Screening Center
External Id：MITF_INH_Alpha_1536_1X%INH PRUN
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| 2-(1-Adamantyl)-2-propanol |
| 2-(Adamantan-1-yl)-2-propanol |
| 2-(adamantan-1-yl)propan-2-ol |
| 2-(1-Adamantyl)propan-2-ol |
| 2-[1-Adamantyl]propan-2-ol |
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