标识与物理属性
| CAS No. | 112245-09-7 |
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| 分子式 | C6H15NO |
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| 平均分子量 | 117.19 g/mol |
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| 单同位素质量 | 117.1153641 g/mol |
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| SMILES | CC(C)(C)[C@@H](N)CO |
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| InChIKey | JBULSURVMXPBNA-YFKPBYRVSA-N |
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| PubChem CID | 6932847 |
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| EC No. | 634-525-7 |
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| DTXSID | DTXSID60426146 |
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| 中文名 | D-叔亮氨醇 |
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化学与物理性质
| XLogP | 0.4 |
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| 极性表面积 | 46.3 |
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| 氢键供体 | 2 |
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| 氢键受体 | 2 |
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| 可旋转键 | 2 |
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| 重原子 | 8 |
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| 形式电荷 | 0 |
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| 复杂度 | 65 |
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| 熔点 | 30-33 °C(lit.) |
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| 沸点 | 70 °C0.4 mm Hg(lit.) |
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| 密度 | 0.9 g/mL at 25 °C(lit.) |
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| 闪点 | 194 °F |
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| 储存条件 | Keep in dark place,Inert atmosphere,2-8°C |
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| pKa（酸度系数） | 12.88±0.10(Predicted) |
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| 形态 | Liquid |
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| 颜色 | Colorless to yellow |
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| 旋光度 (Optical Rotation) | [α]20/D 37°, c = 1.5 in ethanol |
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| 主要应用 | peptide synthesis |
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| InChI | InChI=1S/C6H15NO/c1-6(2,3)5(7)4-8/h5,8H,4,7H2,1-3H3/t5-/m0/s1 |
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| InChIKey | JBULSURVMXPBNA-YFKPBYRVSA-N |
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| SMILES | C(O)[C@H](N)C(C)(C)C |
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安全与法规
| GHS 分类 | WarningH315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposureRespiratory tract irritation]P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 45 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website. |
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| Hazard Classes and Categories | Skin Irrit. 2 (100%)Eye Irrit. 2 (100%)STOT SE 3 (100%) |
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| 水危害等级（WGK） | 3 |
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| 储存类别 | 11 - Combustible Solids |
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| 安全说明（S） | 26-36 |
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| 海关编码 | 2922190090 |
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| 危险品标志 | Xi |
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| 危险类别 | Eye Irrit. 2Skin Irrit. 2STOT SE 3 |
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| 危险类别码（R） | 36/37/38 |
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