4703-38-2

• 常用中文名：苯甲酰基-DL-蛋氨酸
• 常用英文名：n-benzoyl-dl-methionine
• CAS号：4703-38-2
• 分子式：C₁₂H₁₅NO₃S
• 分子量：253.317
• 相关类别： 生物化工 氨基酸及其衍生物 蛋氨酸类衍生物
• 发布时间：2018-05-17 08:00:00
• 更新时间：2024-01-05 09:52:43
• 2-苯甲酰胺-4-(甲硫基)丁酸是一种甲硫氨酸(HY-13694)衍生物[1]。

名称

• 中文名: N-苯甲酰-DL-蛋氨酸
• 英文名: 2-benzamido-4-methylsulfanylbutanoic acid
• 中文别名: 苯甲酰基-DL-蛋氨酸
• 英文别名: DL-N-benzoylmethionine; 4-methylthio-2-(phenylcarbonylamino)butanoic acid; Methionine, N-benzoyl-; Benzoyl-DL-methionine; MFCD00026044; N-benzoyl-D,L-methionine; N-(phenylcarbonyl)methionine; N-Benzoylmethionine

物化性质

• 密度: 1.2±0.1 g/cm3
• 沸点: 529.7±45.0 °C at 760 mmHg
• 熔点: 152ºC
• 分子式: C₁₂H₁₅NO₃S
• 分子量: 253.317
• 闪点: 274.2±28.7 °C
• 精确质量: 253.077271
• PSA: 95.19000
• LogP: 1.71
• 外观性状: 白色至淡灰色-米色结晶粉末
• 蒸汽压: 0.0±1.5 mmHg at 25°C
• 折射率: 1.578
• 储存条件:

  -20℃ 避光，通风干燥处，密封保存

• 稳定性:

  常温常压下稳定

• 分子结构:

  1、 摩尔折射率：67.92

  2、 摩尔体积（m³/mol）：204.7

  3、 等张比容（90.2K）：549.3

  4、 表面张力（dyne/cm）：51.8

  5、 极化率（10 ^-24cm ³）：26.92

• 计算化学:

  1.疏水参数计算参考值（XlogP）:1.8

  2.氢键供体数量:2

  3.氢键受体数量:4

  4.可旋转化学键数量:6

  5.互变异构体数量:2

  6.拓扑分子极性表面积91.7

  7.重原子数量:17

  8.表面电荷:0

  9.复杂度:265

  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：不确定

  2. 密度（g/mL ,25/4℃）：不确定

  3. 相对蒸汽密度（g/mL,空气=1）：不确定

  4. 熔点（ºC）：152

  5. 沸点（ºC,常压）：不确定

  6. 沸点（ºC,11mmHg）：不确定

  7. 折射率：不确定

  8. 闪点（ºF）：不确定

  9. 比旋光度（º）：不确定

  10. 自燃点或引燃温度（ºC）：不确定

  11. 蒸气压（kPa,25ºC）：不确定

  12. 饱和蒸气压（kPa,60ºC）：不确定

  13. 燃烧热（KJ/mol）：不确定

  14. 临界温度（ºC）：不确定

  15. 临界压力（KPa）：不确定

  16. 油水（辛醇/水）分配系数的对数值：不确定

  17. 爆炸上限（%,V/V）：不确定

  18. 爆炸下限（%,V/V）：不确定

  19. 溶解性：不确定

生物活性

• 描述: 2-苯甲酰胺-4-(甲硫基)丁酸是一种甲硫氨酸(HY-13694)衍生物[1]。
• 相关类别:
  研究领域 >> 其他
  信号通路 >> 其他 >> 其他
• 体外研究: 氨基酸和氨基酸衍生物已被商业化用作能量补充剂。它们影响合成代谢激素的分泌、运动期间的燃料供应、压力相关任务期间的精神表现,并防止运动引起的肌肉损伤。它们被认为是有益的能生膳食物质[1]。
• 参考文献:

  [1]. Luckose F, et al. Effects of amino acid derivatives on physical, mental, and physiological activities. Crit Rev Food Sci Nutr. 2015;55(13):1793-1144.

MSDS

Name: N-Benzoyl-D L-methionine 98% Material Safety Data Sheet Synonym: None Known CAS: 4703-38-2 Section 1 - Chemical Product MSDS Name:N-Benzoyl-D L-methionine 98% Material Safety Data Sheet Synonym:None Known Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS CAS# Chemical Name content EINECS# 4703-38-2 N-Benzoyl-D,L-methionine 98% unlisted Hazard Symbols: None Listed. Risk Phrases: None Listed. Section 3 - HAZARDS IDENTIFICATION EMERGENCY OVERVIEW The toxicological properties of this material have not been fully investigated. Potential Health Effects Eye: May cause eye irritation. Skin: May cause skin irritation. Ingestion: May cause irritation of the digestive tract. The toxicological properties of this substance have not been fully investigated. Inhalation: May cause respiratory tract irritation. The toxicological properties of this substance have not been fully investigated. Chronic: No information found. Section 4 - FIRST AID MEASURES Eyes: In case of contact, immediately flush eyes with plenty of water for at least 15 minutes. Get medical aid. Skin: In case of contact, flush skin with plenty of water. Remove contaminated clothing and shoes. Get medical aid if irritation develops and persists. Wash clothing before reuse. Ingestion: If swallowed, do not induce vomiting unless directed to do so by medical personnel. Never give anything by mouth to an unconscious person. Get medical aid. Inhalation: Remove from exposure and move to fresh air immediately. If not breathing, give artificial respiration. If breathing is difficult, give oxygen. Get medical aid. 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. During a fire, irritating and highly toxic gases may be generated by thermal decomposition or combustion. Extinguishing Media: Use water spray, dry chemical, carbon dioxide, or appropriate 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. Clean up spills immediately, observing precautions in the Protective Equipment section. Avoid generating dusty conditions. Provide ventilation. Section 7 - HANDLING and STORAGE Handling: Wash thoroughly after handling. Use with adequate ventilation. Minimize dust generation and accumulation. Avoid breathing dust, vapor, mist, or gas. Avoid contact with eyes, skin, and clothing. Keep container tightly closed. Avoid ingestion and inhalation. Storage: Store in a cool, dry place. Store in a tightly closed container. 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# 4703-38-2: Personal Protective Equipment Eyes: Wear appropriate protective eyeglasses or chemical safety goggles as described by OSHA's eye and face protection regulations in 29 CFR 1910.133 or European Standard EN166. 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: Crystalline powder Color: white Odor: Not available. pH: Not available. Vapor Pressure: Not available. Viscosity: Not available. Boiling Point: Not available. Freezing/Melting Point: 151 - 152 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: insoluble Specific Gravity/Density: Molecular Formula: C12H15NO3S Molecular Weight: 253.32 Section 10 - STABILITY AND REACTIVITY Chemical Stability: Stable under normal temperatures and pressures. Conditions to Avoid: Dust generation. Incompatibilities with Other Materials: Strong oxidizing agents. Hazardous Decomposition Products: Carbon monoxide, carbon dioxide. Hazardous Polymerization: Will not occur. Section 11 - TOXICOLOGICAL INFORMATION RTECS#: CAS# 4703-38-2 unlisted. LD50/LC50: Not available. Carcinogenicity: N-Benzoyl-D,L-methionine - 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# 4703-38-2: No information available. Canada None of the chemicals in this product are listed on the DSL/NDSL list. CAS# 4703-38-2 is not listed on Canada's Ingredient Disclosure List. US FEDERAL TSCA CAS# 4703-38-2 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: 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

安全

• 危害码 (欧洲): Xn
• 风险声明 (欧洲): R20/21/22
• 安全声明 (欧洲): 26-36
• WGK德国: 3

合成路线

98-88-4 59-51-8 ~% 4703-38-2

文献：Kuritsyn, L. V.; Kalinina, N. V. Russian Journal of Organic Chemistry, 1994 , vol. 30, # 5.2 p. 767 - 770 Zhurnal Organicheskoi Khimii, 1994 , vol. 30, # 5 p. 723 - 725

7200-20-6 ~% 4703-38-2

文献：Hill; Robson Biochemical Journal, 1936 , vol. 30, p. 248,250

5188-07-8 ~% 4703-38-2 7200-20-6

文献：Hill; Robson Biochemical Journal, 1936 , vol. 30, p. 248,250

98-88-4 ~% 4703-38-2

文献：Sudo Nippon Kagaku Zasshi, 1958 , vol. 79, p. 81,83 Chem.Abstr., 1960 , p. 5448

13602-48-7 5188-07-8 ~% 4703-38-2

文献：Sudo Nippon Kagaku Zasshi, 1958 , vol. 79, p. 81,83 Chem.Abstr., 1960 , p. 5448

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