18800-74-3

• 常用中文名：4-叔丁氧羰基氨基-4-氨基甲酰基丁酸
• 常用英文名：N2-(tert-Butoxycarbonyl)-L-α-glutamine
• CAS号：18800-74-3
• 分子式：C₁₀H₁₈N₂O₅
• 分子量：246.260
• 相关类别： 生物化工 氨基酸及其衍生物 BOC-氨基酸
• 发布时间：2019-06-09 17:43:55
• 更新时间：2024-01-04 16:50:24

名称

• 中文名: 4-叔丁氧羰基氨基-4-氨基甲酰基丁酸
• 英文名: boc-glu-nh2
• 英文别名: t-butoxycarbonyl-L-tyrosine ethyl ester; N-{[(2-Methyl-2-propanyl)oxy]carbonyl}-L-α-glutamine; Boc-L-Tyr-OEt; N-Boc-L-tyrosine ethyl ester; 4-tert-Butoxycarbonylamino-4-carbamoylbutyric acid; Boc-L-Glu-NH2; N-(tert-Butoxycarbonyl)-L-α-glutamine; Dach platinum dinitrate; Boc-Tyr-OEt; MFCD00070081; Boc-L-Tyrosine ethyl ester; Boc-isoGln-OH

物化性质

• 密度: 1.2±0.1 g/cm3
• 沸点: 495.3±40.0 °C at 760 mmHg
• 熔点: 116-120ºC
• 分子式: C₁₀H₁₈N₂O₅
• 分子量: 246.260
• 闪点: 253.3±27.3 °C
• 精确质量: 246.121567
• PSA: 118.72000
• LogP: 0.11
• 外观性状: 白色粉末或大块
• 蒸汽压: 0.0±2.7 mmHg at 25°C
• 折射率: 1.495
• 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：无可用

  2、 摩尔体积（cm³/mol）：无可用

  3、 等张比容（90.2K）：无可用

  4、 表面张力（dyne/cm）：无可用

  5、 极化率：无可用

• 计算化学:

  1、 疏水参数计算参考值（XlogP）：-0.4

  2、 氢键供体数量：2

  3、 氢键受体数量：5

  4、 可旋转化学键数量：6

  5、 拓扑分子极性表面积（TPSA）：122

  6、 重原子数量：17

  7、 表面电荷：-1

  8、 复杂度：303

  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

• 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）：无可用

  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

MSDS

Name: BOC-L-Isoglutamine Material Safety Data Sheet Synonym: N-(tert-Butoxycarbonyl)-L-isoglutamin CAS: 18800-74-3 Section 1 - Chemical Product MSDS Name:BOC-L-Isoglutamine Material Safety Data Sheet Synonym:N-(tert-Butoxycarbonyl)-L-isoglutamin Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS CAS# Chemical Name content EINECS# 18800-74-3 BOC-L-Isoglutamine unlisted Hazard Symbols: None Listed. 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 tightly closed container. Store in a dry area. Keep refrigerated. (Store below 4C/39F.) Section 8 - EXPOSURE CONTROLS, PERSONAL PROTECTION Engineering Controls: Use adequate ventilation to keep airborne concentrations low. Exposure Limits CAS# 18800-74-3: 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: Powder Color: white Odor: Not available. pH: Not available. Vapor Pressure: Not available. Viscosity: Not available. Boiling Point: Not available. Freezing/Melting Point: Not available. 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: C10H18N2O5 Molecular Weight: 246.26 Section 10 - STABILITY AND REACTIVITY Chemical Stability: Stable. Conditions to Avoid: Incompatible materials. Incompatibilities with Other Materials: Strong oxidizing agents. Hazardous Decomposition Products: Nitrogen oxides, carbon monoxide, carbon dioxide. Hazardous Polymerization: Has not been reported Section 11 - TOXICOLOGICAL INFORMATION RTECS#: CAS# 18800-74-3 unlisted. LD50/LC50: Not available. Carcinogenicity: BOC-L-Isoglutamine - 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 Not regulated as a hazardous material. IMO Not regulated as a hazardous material. RID/ADR Not regulated as a hazardous material. 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# 18800-74-3: No information available. Canada None of the chemicals in this product are listed on the DSL/NDSL list. CAS# 18800-74-3 is not listed on Canada's Ingredient Disclosure List. US FEDERAL TSCA CAS# 18800-74-3 is not listed on the TSCA inventory. It is for research and development use only. SECTION 16 - ADDITIONAL INFORMATION N/A

毒性和生态

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。

安全

• 安全声明 (欧洲): S24/25
• 海关编码: 2924199090

合成路线

13574-13-5 541-41-3 ~% 18800-74-3

文献：EP2543660 A1, ; Paragraph 0123 ;

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海关

海关编码	2924199090
中文概述	2924199090. 其他无环酰胺（包括无环氨基甲酸酯)(包括其衍生物及盐）. 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:30.0%
申报要素	品名, 成分含量, 用途, 包装
Summary	2924199090. other acyclic amides (including acyclic carbamates) and their derivatives; salts thereof. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:30.0%