114524-80-0

• 常用中文名：甲基-2-氨基-3-(1H-吲哚-3-基)-2-甲基丙酸酯
• 常用英文名：METHYL 2-AMINO-3-(1H-INDOL-3-YL)-2-METHYLPROPANOATE
• CAS号：114524-80-0
• 分子式：C₁₃H₁₆N₂O₂
• 分子量：232.27800
• 相关类别： 生物化工 氨基酸及其衍生物 色氨酸类衍生物
• 发布时间：2018-12-10 23:57:54
• 更新时间：2024-01-11 15:53:07

名称

• 中文名: Alpha-甲基-DL-色氨酸甲酯
• 英文名: α-Methyl-D,L-tryptophan Methyl Ester
• 中文别名: 甲基二氨基-3-(氢-吲哚-3基)-2-甲基羧酸; 2-氨基-3-(1H-吲哚-3-基)-2-甲基丙酸甲酯; Α-甲基-DL-色氨酸甲酯
• 英文别名: MFCD00152138; DL-α-METHYLTRYPTOPHAN METHYL ESTER HYDROCHLORIDE

物化性质

• 密度: 1.213g/cm3
• 沸点: 394.3ºC at 760mmHg
• 熔点: 139-142ºC
• 分子式: C₁₃H₁₆N₂O₂
• 分子量: 232.27800
• 闪点: 192.3ºC
• 精确质量: 232.12100
• PSA: 68.11000
• LogP: 2.30110
• 外观性状: 白色结晶固体
• 储存条件: 2-8°C
• 分子结构:

  1、摩尔折射率：67.25

  2、摩尔体积（cm³/mol）：191.4

  3、等张比容（90.2K）：515.5

  4、表面张力（dyne/cm）：52.6

  5、介电常数：无可用的

  6、极化率（10^-24cm³）：26.66

  7、单一同位素质量：232.121178 Da

  8、标称质量：232 Da

  9、平均质量：232.2783 Da

• 计算化学:

  1.疏水参数计算参考值（XlogP）:无

  2.氢键供体数量:2

  3.氢键受体数量:3

  4.可旋转化学键数量:4

  5.互变异构体数量:无

  6.拓扑分子极性表面积68.1

  7.重原子数量:17

  8.表面电荷:0

  9.复杂度:295

  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:1

  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

• 更多:

  1. 性状：未确定

  2. 密度（g/mL,25℃）：未确定

  3. 相对蒸汽密度（g/mL,空气=1）：未确定

  4. 熔点（ºC）：139-142

  5. 沸点（ºC,常压）：未确定

  6. 沸点（ºC，2mmHg）：未确定

  7. 折射率(n20/D)：未确定

  8. 闪点（ºC）：未确定

  9. 比旋光度（º）：未确定

  10. 自燃点或引燃温度（ºC）：未确定

  11. 蒸气压（mmHg,20ºC）：未确定

  12. 饱和蒸气压（kPa,25ºC）：未确定

  13. 燃烧热（KJ/mol）：未确定

  14. 临界温度（ºC）：未确定

  15. 临界压力（KPa）：未确定

  16. 油水（辛醇/水）分配系数的对数值：未确定

  17. 爆炸上限（%,V/V）：未确定

  18. 爆炸下限（%,V/V）：未确定

  19. 溶解性：未确定

MSDS

Name: Methyl 2-amino-3-(1h-indol-3-yl)-2-methylpropanoate 97% Material Safety Data Sheet Synonym: Methyl 2-amino-3-(1H-indol-3-yl)-2-methylpropionat CAS: 114524-80-0 Section 1 - Chemical Product MSDS Name:Methyl 2-amino-3-(1h-indol-3-yl)-2-methylpropanoate 97% Material Safety Data Sheet Synonym:Methyl 2-amino-3-(1H-indol-3-yl)-2-methylpropionat Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS CAS# Chemical Name content EINECS# 114524-80-0 Methyl 2-amino-3-(1H-indol-3-yl)-2-met 97% unlisted Hazard Symbols: C Risk Phrases: 34 Section 3 - HAZARDS IDENTIFICATION EMERGENCY OVERVIEW Causes burns. Potential Health Effects Eye: Causes eye burns. Skin: Causes skin burns. Ingestion: Causes gastrointestinal tract burns. Inhalation: Causes chemical burns to the respiratory tract. Chronic: Not available. Section 4 - FIRST AID MEASURES Eyes: Immediately flush eyes with plenty of water for at least 15 minutes, occasionally lifting the upper and lower eyelids. Get medical aid immediately. Skin: Get medical aid immediately. Immediately flush skin with plenty of water for at least 15 minutes while removing contaminated clothing and shoes. Ingestion: Do not induce vomiting. Get medical aid immediately. Wash mouth out with water. Inhalation: Get medical aid immediately. Remove from exposure and move to fresh air immediately. If not breathing, give artificial respiration. If breathing is difficult, give oxygen. 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 foam, dry chemical, or carbon dioxide. 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: Do not breathe dust, vapor, mist, or gas. Do not get in eyes, on skin, or on clothing. Use only in a chemical fume hood. Storage: Store in a cool, dry place. Store in a tightly closed container. Corrosives area. Section 8 - EXPOSURE CONTROLS, PERSONAL PROTECTION Engineering Controls: Facilities storing or utilizing this material should be equipped with an eyewash facility and a safety shower. Use adequate ventilation to keep airborne concentrations low. Exposure Limits CAS# 114524-80-0: 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: tan Odor: Not available. pH: Not available. Vapor Pressure: Not available. Viscosity: Not available. Boiling Point: Not available. Freezing/Melting Point: 139 - 142 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: C13H16N2O2 Molecular Weight: 232 Section 10 - STABILITY AND REACTIVITY Chemical Stability: Not available. Conditions to Avoid: Incompatible materials. Incompatibilities with Other Materials: Oxidizing agents, acids, acid chlorides. Hazardous Decomposition Products: Nitrogen oxides, carbon monoxide, carbon dioxide, acrid smoke and fumes, ammonia. Hazardous Polymerization: Has not been reported Section 11 - TOXICOLOGICAL INFORMATION RTECS#: CAS# 114524-80-0 unlisted. LD50/LC50: Not available. Carcinogenicity: Methyl 2-amino-3-(1H-indol-3-yl)-2-methylpropanoate - 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: AMINES, SOLID, CORROSIVE, N.O.S.* Hazard Class: 8 UN Number: 3259 Packing Group: III IMO Shipping Name: AMINES, SOLID, CORROSIVE, N.O.S. Hazard Class: 8 UN Number: 3259 Packing Group: III RID/ADR Shipping Name: AMINES, SOLID, CORROSIVE, N.O.S. Hazard Class: 8 UN Number: 3259 Packing group: III Section 15 - REGULATORY INFORMATION European/International Regulations European Labeling in Accordance with EC Directives Hazard Symbols: C Risk Phrases: R 34 Causes burns. Safety Phrases: S 26 In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. S 36/37/39 Wear suitable protective clothing, gloves and eye/face protection. S 45 In case of accident or if you feel unwell, seek medical advice immediately (show the label where possible). WGK (Water Danger/Protection) CAS# 114524-80-0: No information available. Canada None of the chemicals in this product are listed on the DSL/NDSL list. CAS# 114524-80-0 is not listed on Canada's Ingredient Disclosure List. US FEDERAL TSCA CAS# 114524-80-0 is not listed on the TSCA inventory. It is for research and development use only. SECTION 16 - ADDITIONAL INFORMATION N/A

安全

• 危害码 (欧洲): C: Corrosive;
• 风险声明 (欧洲): R34
• 安全声明 (欧洲): S26-S36/37/39-S45

合成路线

74761-92-5 ~% 114524-80-0

文献：Heterocycles, , vol. 26, # 8 p. 2139 - 2151

19779-75-0 ~% 114524-80-0

文献：Heterocycles, , vol. 26, # 8 p. 2139 - 2151

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