57105-42-7
57105-42-7结构式
- 常用中文名：N-(3-吲哚乙酰基)-L-缬氨酸
- 常用英文名：N-(3-Indolylacetyl)-L-valine
- CAS号：57105-42-7
- 分子式：C15H18N2O3
- 分子量：274.31500
- 相关类别： 生物化工 氨基酸及其衍生物 缬氨酸类衍生物
- 发布时间：2018-10-21 19:37:08
- 更新时间：2024-01-15 11:29:05
| 中文名 | N-(3-吲哚乙酰基)-L-缬氨酸 |
|---|---|
| 英文名 | (2S)-2-[[2-(1H-indol-3-yl)acetyl]amino]-3-methylbutanoic acid |
| 英文别名 |
Indole-3-acetyl-L-valine
N-indol-3-ylacetyl-valine MFCD00075402 IAV |
| 密度 | 1.255g/cm3 |
|---|---|
| 沸点 | 589.4ºC at 760mmHg |
| 熔点 | 196-199ºC(lit.) |
| 分子式 | C15H18N2O3 |
| 分子量 | 274.31500 |
| 闪点 | 310.2ºC |
| 精确质量 | 274.13200 |
| PSA | 82.19000 |
| LogP | 2.32670 |
| 折射率 | 1.615 |
| 储存条件 | 保持贮藏器密封 放入紧密的贮藏器内，储存在阴凉，干燥的地方 |
| 稳定性 | 遵照规定使用和储存则不会分解。 |
| 分子结构 | 1、 疏水参数计算参考值（XlogP）：2.1 2、 氢键供体数量：3 3、 氢键受体数量：3 4、 可旋转化学键数量：5 5、 拓扑分子极性表面积（TPSA）：82.2 6、 重原子数量：20 7、 表面电荷：0 8、 复杂度：370 9、 同位素原子数量：0 10、 确定原子立构中心数量：1 11、 不确定原子立构中心数量：0 12、 确定化学键立构中心数量：0 13、 不确定化学键立构中心数量：0 14、 共价键单元数量：1 |
| 计算化学 | 五、分子性质数据： 1、 摩尔折射率：76.34 2、 摩尔体积（m3/mol）：218.5 3、 等张比容（90.2K）：595.8 4、 表面张力（dyne/cm）：55.2 5、 极化率：30.26 6、 介电常数：未确定 |
| 更多 | 1. 性状：无可用 2. 密度（g/mL,25/4℃）：无可用 3. 相对蒸汽密度（g/mL,空气=1）：无可用 4. 熔点（ºC）：196-199 5. 沸点（ºC,常压）：无可用 6. 沸点（ºC,5.2kPa）：无可用 7. 折射率：无可用 8. 闪点（ºC）：无可用 9. 比旋光度（º）：无可用 10. 自燃点或引燃温度（ºC）：无可用 11. 蒸气压（kPa,25ºC）：无可用 12. 饱和蒸气压（kPa,60ºC）：无可用 13. 燃烧热（KJ/mol）：无可用 14. 临界温度（ºC）：无可用 15. 临界压力（KPa）：无可用 16. 油水（辛醇/水）分配系数的对数值：无可用 17. 爆炸上限（%,V/V）：无可用 18. 爆炸下限（%,V/V）：无可用 19. 溶解性：无可用 |
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Version 1.2
Regulation (EC) No 1907/2006 1 - Product and Company Information Product NameN-(3-INDOLYLACETYL)-L-VALINE, 99% 2 - Hazards Identification 3 - Composition/Information on Ingredients Product NameCAS #EC noAnnex I Index Number N-(3-INDOLYLACETYL)-L-VALINE, 99% 57105-42-7 NoneNone FormulaC15H18N2O3 Molecular Weight 274,3200 AMU 4 - First Aid Measures AFTER INHALATION If inhaled, remove to fresh air. If not breathing give artificial respiration. If breathing is difficult, give oxygen. AFTER SKIN CONTACT In case of contact, immediately wash skin with soap and copious amounts of water. AFTER EYE CONTACT In case of contact, immediately flush eyes with copious amounts of water for at least 15 minutes. AFTER INGESTION If swallowed, wash out mouth with water provided person is conscious. Call a physician. 5 - Fire Fighting Measures EXTINGUISHING MEDIA Suitable: Water spray. Carbon dioxide, dry chemical powder, or appropriate foam. ALDRICHwww.molbase.com SPECIAL RISKS Specific Hazard(s): Emits toxic fumes under fire conditions. SPECIAL PROTECTIVE EQUIPMENT FOR FIREFIGHTERS Wear self-contained breathing apparatus and protective clothing to prevent contact with skin and eyes. 6 - Accidental Release Measures PROCEDURE(S) OF PERSONAL PRECAUTION(S) Wear respirator, chemical safety goggles, rubber boots, and heavy rubber gloves. METHODS FOR CLEANING UP Sweep up, place in a bag and hold for waste disposal. Avoid raising dust. Ventilate area and wash spill site after material pickup is complete. 7 - Handling and Storage HANDLING Directions for Safe Handling: Avoid inhalation. Avoid contact with eyes, skin, and clothing. Avoid prolonged or repeated exposure. STORAGE Conditions of Storage: Keep tightly closed. Store in a cool dry place. 8 - Exposure Controls / Personal Protection ENGINEERING CONTROLS Safety shower and eye bath. Mechanical exhaust required. GENERAL HYGIENE MEASURES Wash thoroughly after handling. Wash contaminated clothing before reuse. PERSONAL PROTECTIVE EQUIPMENT Respiratory Protection: Use respirators and components tested and approved under appropriate government standards such as NIOSH (US) or CEN (EU). Respiratory protection is not required. Where protection is desired, use multi-purpose combination (US) or type ABEK (EN 14387) respirator cartridges. Hand Protection: Compatible chemical-resistant gloves. Eye Protection: Chemical safety goggles. 9 - Physical and Chemical Properties pH N/A BP/BP RangeN/A MP/MP Range196,000. - 199,000 ° C. Flash PointN/A FlammabilityN/A Autoignition TempN/A Oxidizing Properties N/A Explosive Properties N/A Explosion LimitsN/A Vapor PressureN/A ALDRICHwww.molbase.com Partition Coefficient N/A ViscosityN/A Vapor DensityN/A Saturated Vapor Conc. N/A Evaporation RateN/A Bulk DensityN/A Decomposition Temp.N/A Solvent ContentN/A Water ContentN/A Surface TensionN/A ConductivityN/A Miscellaneous DataN/A SolubilityN/A 10 - Stability and Reactivity STABILITY Materials to Avoid: Strong oxidizing agents. HAZARDOUS DECOMPOSITION PRODUCTS Hazardous Decomposition Products: Carbon monoxide, Carbon dioxide, Nitrogen oxides. 11 - Toxicological Information SIGNS AND SYMPTOMS OF EXPOSURE To the best of our knowledge, the chemical, physical, and toxicological properties have not been thoroughly investigated. ROUTE OF EXPOSURE Skin Contact: May cause skin irritation. Eye Contact: May cause eye irritation. Multiple Routes: May be harmful by inhalation, ingestion, or skin absorption. 12 - Ecological Information No data available. 13 - Disposal Considerations SUBSTANCE DISPOSAL Dissolve or mix the material with a combustible solvent and burn in a chemical incinerator equipped with an afterburner and scrubber. Observe all federal, state, and local environmental regulations. 14 - Transport Information RID/ADR Non-hazardous for road transport. IMDG Non-hazardous for sea transport. IATA Non-hazardous for air transport. 15 - Regulatory Information ALDRICHwww.molbase.com Caution: Substance not yet fully tested (EU). COUNTRY SPECIFIC INFORMATION Germany WGK: 3 Self-Classification 16 - Other Information WARRANTY The above information is believed to be correct but does not purport to be all inclusive and shall be used only as a guide. The information in this document is based on the present state of our knowledge and is applicable to the product with regard to appropriate safety precautions. It does not represent any guarantee of the properties of the product. Inc., shall not be held liable for any damage resulting from handling or from contact with the above product. See reverse side of invoice or packing slip for additional terms and conditions of sale. Copyright 2010 Co. License granted to make unlimitedpaper copies for internal use only. DISCLAIMER For R&D use only. Not for drug, household or other uses. ALDRICHwww.molbase.com SECTION 16 - ADDITIONAL INFORMATION N/A |
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生态学数据: 通常对水是不危害的，若无政府许可，勿将材料排入周围环境。
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| WGK德国 | 3 |
|---|---|
| 海关编码 | 2933990090 |
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57105-42-7 |
| 文献：Justus Liebigs Annalen der Chemie, , vol. 591, p. 192,198 |
| 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% |