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| 中文名 | N-BOC-N,2-二甲基丙氨酸 |
|---|---|
| 英文名 | N-BOC-N,2-Dimethylalanine |
| 中文别名 |
N-叔丁氧羰基-N,2-二甲基丙氨酸
N-(叔丁氧羰基)-N-甲基-2-甲基丙氨酸 |
| 英文别名 |
2-methyl-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoic acid
MFCD01862912 Alanine, N-[(1,1-dimethylethoxy)carbonyl]-N,2-dimethyl- N,2-Dimethyl-N-{[(2-methyl-2-propanyl)oxy]carbonyl}alanine N-(tert-Butoxycarbonyl)-N-methyl-2-methylalanine Boc-N-Me-Aib-OH |
| 密度 | 1.1±0.1 g/cm3 |
|---|---|
| 沸点 | 306.4±21.0 °C at 760 mmHg |
| 熔点 | 154-158ºC |
| 分子式 | C10H19NO4 |
| 分子量 | 217.262 |
| 闪点 | 139.1±22.1 °C |
| 精确质量 | 217.131409 |
| PSA | 66.84000 |
| LogP | 1.94 |
| 外观性状 | Crystalline Powder | White |
| 蒸汽压 | 0.0±1.4 mmHg at 25°C |
| 折射率 | 1.468 |
| 储存条件 | 密闭于阴凉干燥环境中 |
| 稳定性 | 遵照规定使用和储存则不会分解。 |
| 分子结构 | 1、 摩尔折射率：55.36 2、 摩尔体积（m3/mol）：199.0 3、 等张比容（90.2K）：492.4 4、 表面张力（dyne/cm）：37.4 5、 极化率（10-24cm3）：21.59 |
| 计算化学 | 1、 疏水参数计算参考值（XlogP）：1.9 2、 氢键供体数量：0 3、 氢键受体数量：4 4、 可旋转化学键数量：3 5、 拓扑分子极性表面积（TPSA）：69.7 6、 重原子数量：15 7、 表面电荷：-1 8、 复杂度：260 9、 同位素原子数量：0 10、 确定原子立构中心数量：0 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 |
| 更多 | 1. 性状：白色结晶性粉末 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）：154-158 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 |
Synonym:N-tert-Butoxycarbonyl-2-dimethylalanin Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS
Risk Phrases: None Listed. Section 3 - HAZARDS IDENTIFICATION EMERGENCY OVERVIEW
Not available. Potential Health Effects Eye: May cause eye irritation. Skin: May cause skin irritation. May be harmful if absorbed through the skin. Ingestion: May cause irritation of the digestive tract. May be harmful if swallowed. Inhalation: May cause respiratory tract irritation. May be harmful if inhaled. Chronic: Not available. Section 4 - FIRST AID MEASURES Eyes: Flush eyes with plenty of water for at least 15 minutes, occasionally lifting the upper and lower eyelids. Get medical aid. Skin: Get medical aid. Flush skin with plenty of water for at least 15 minutes while removing contaminated clothing and shoes. Ingestion: Get medical aid. Wash mouth out with water. Inhalation: Remove from exposure and move to fresh air immediately. Notes to Physician: Treat symptomatically and supportively. Section 5 - FIRE FIGHTING MEASURES General Information: As in any fire, wear a self-contained breathing apparatus in pressure-demand, MSHA/NIOSH (approved or equivalent), and full protective gear. Extinguishing Media: Use water spray, dry chemical, carbon dioxide, or chemical foam. Section 6 - ACCIDENTAL RELEASE MEASURES General Information: Use proper personal protective equipment as indicated in Section 8. Spills/Leaks: Vacuum or sweep up material and place into a suitable disposal container. Section 7 - HANDLING and STORAGE Handling: Avoid breathing dust, vapor, mist, or gas. Avoid contact with skin and eyes. Storage: Store in a cool, dry place. Store in a tightly closed container. Section 8 - EXPOSURE CONTROLS, PERSONAL PROTECTION Engineering Controls: Use adequate ventilation to keep airborne concentrations low. Exposure Limits CAS# 146000-39-7: Personal Protective Equipment Eyes: Not available. Skin: Wear appropriate protective gloves to prevent skin exposure. Clothing: Wear appropriate protective clothing to prevent skin exposure. Respirators: Follow the OSHA respirator regulations found in 29 CFR 1910.134 or European Standard EN 149. Use a NIOSH/MSHA or European Standard EN 149 approved respirator if exposure limits are exceeded or if irritation or other symptoms are experienced. Section 9 - PHYSICAL AND CHEMICAL PROPERTIES Physical State: Solid Color: Not available. Odor: Not available. pH: Not available. Vapor Pressure: Not available. Viscosity: Not available. Boiling Point: Not available. Freezing/Melting Point: 154 - 158 deg C Autoignition Temperature: Not available. Flash Point: Not available. Explosion Limits, lower: Not available. Explosion Limits, upper: Not available. Decomposition Temperature: Solubility in water: Specific Gravity/Density: Molecular Formula: C10H19NO4 Molecular Weight: 217.26 Section 10 - STABILITY AND REACTIVITY Chemical Stability: Not available. Conditions to Avoid: Incompatible materials. Incompatibilities with Other Materials: Strong oxidizing agents. Hazardous Decomposition Products: Carbon monoxide, oxides of nitrogen, carbon dioxide. Hazardous Polymerization: Has not been reported Section 11 - TOXICOLOGICAL INFORMATION RTECS#: CAS# 146000-39-7 unlisted. LD50/LC50: Not available. Carcinogenicity: N-BOC-N,2-Dimethylalanine - Not listed by ACGIH, IARC, or NTP. Section 12 - ECOLOGICAL INFORMATION Section 13 - DISPOSAL CONSIDERATIONS Dispose of in a manner consistent with federal, state, and local regulations. Section 14 - TRANSPORT INFORMATION IATA Shipping Name: Not regulated. Hazard Class: UN Number: Packing Group: IMO Shipping Name: Not regulated. Hazard Class: UN Number: Packing Group: RID/ADR Shipping Name: Not regulated. Hazard Class: UN Number: Packing group: Section 15 - REGULATORY INFORMATION European/International Regulations European Labeling in Accordance with EC Directives Hazard Symbols: Not available. Risk Phrases: Safety Phrases: S 24/25 Avoid contact with skin and eyes. WGK (Water Danger/Protection) CAS# 146000-39-7: No information available. Canada None of the chemicals in this product are listed on the DSL/NDSL list. CAS# 146000-39-7 is not listed on Canada's Ingredient Disclosure List. US FEDERAL TSCA CAS# 146000-39-7 is not listed on the TSCA inventory. It is for research and development use only. SECTION 16 - ADDITIONAL INFORMATION N/A |
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生态学数据: 该物质对环境可能有危害，对水体应给予特别注意。
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| 个人防护装备 | Eyeshields;Gloves;type N95 (US);type P1 (EN143) respirator filter |
|---|---|
| 安全声明 (欧洲) | S24/25 |
| 危险品运输编码 | NONH for all modes of transport |
| WGK德国 | 3 |
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~82%
146000-39-7 |
| 文献：Guerlavais, Vincent; Boeglin, Damien; Mousseaux, Delphine; Oiry, Catherine; Heitz, Annie; Deghenghi, Romano; Locatelli, Vittorio; Torsello, Antonio; Ghe, Corrado; Catapano, Filomena; Muccioli, Giampiero; Galleyrand, Jean-Claude; Fehrentz, Jean-Alain; Martinez, Jean Journal of Medicinal Chemistry, 2003 , vol. 46, # 7 p. 1191 - 1203 |
|
~94%
146000-39-7 |
| 文献：Khalil, Ehab M.; Subasinghe, Nalin L.; Johnson, Rodney L. Tetrahedron Letters, 1996 , vol. 37, # 20 p. 3441 - 3444 |
| 上游产品 4 | |
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| 下游产品 1 | |
