13726-52-8

• 常用中文名：N-(4-氨基苯(甲)酰)-L-谷氨酸二乙酯
• 常用英文名：Diethyl N-(4-aminobenzoyl)-L-glutamate
• CAS号：13726-52-8
• 分子式：C₁₆H₂₂N₂O₅
• 分子量：322.356
• 相关类别： 生物化工 氨基酸及其衍生物 谷氨酸类衍生物
• 发布时间：2018-12-24 19:09:58
• 更新时间：2024-01-02 22:00:25
• N-(4-氨基苯甲酰)-L-谷氨酸二乙酯是一种谷氨酸衍生物[1]。

名称

• 中文名: N-(4-氨基苯(甲)酰)-L-谷氨酸二乙酯
• 英文名: diethyl (2S)-2-[(4-aminobenzoyl)amino]pentanedioate
• 中文别名: N-(4-氨基苯甲酰基)-L-谷氨酸二乙酯; N-(4-氨基苯甲酰基)-l-谷氨酸二乙酯; N-(4-氨基苄酰基)-L-谷氨酸二乙酯; N-(4-氨基苄酰基)-L-谷氨酸二乙酯
• 英文别名: Diethyl N-(p-aminobenzoyl)-L-glutamate; Diethyl N-(4-aminobenzoyl)-L-glutamate; ethyl p-aminobenzoyl-L-glutamate; MFCD00009617; 4-Abz-Glu(OEt)-OEt; N-(4-Aminobenzoyl)-L-glutamic Acid Diethyl Ester; L-Glutamic acid, N- (4-aminobenzoyl)-, diethyl ester; L-Glutamic acid, N-(4-aminobenzoyl)-, diethyl ester; N-(p-Aminobenzoyl)-L-glutamic acid diethyl ester; EINECS 237-293-1

物化性质

• 密度: 1.2±0.1 g/cm3
• 沸点: 522.0±50.0 °C at 760 mmHg
• 熔点: 139-142 °C(lit.)
• 分子式: C₁₆H₂₂N₂O₅
• 分子量: 322.356
• 闪点: 269.5±30.1 °C
• 精确质量: 322.152863
• PSA: 107.72000
• LogP: 1.79
• 蒸汽压: 0.0±1.4 mmHg at 25°C
• 折射率: 1.536
• 储存条件:

  常温密闭，阴凉通风干燥

• 稳定性:

  常温常压下稳定

  避免的物料 氧化物
• 分子结构:

  1、 摩尔折射率：84.68

  2、 摩尔体积（m³/mol）：271.4

  3、 等张比容（90.2K）：711.3

  4、 表面张力（dyne/cm）：47.1

  5、 极化率（10^-24cm³）：33.57

• 计算化学:

  1、 疏水参数计算参考值（XlogP）：1.4

  2、 氢键供体数量：2

  3、 氢键受体数量：6

  4、 可旋转化学键数量：10

  5、 互变异构体数量：3

  6、 拓扑分子极性表面积（TPSA）：108

  7、 重原子数量：23

  8、 表面电荷：0

  9、 复杂度：405

  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：0

  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：粉末

  2. 密度（g/mL,25/4℃）：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,5.2kPa）：未确定

  7. 折射率：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）：不适用的

  11. 蒸气压（kPa,25ºC）：未确定

  12. 饱和蒸气压（kPa,60ºC）：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

生物活性

• 描述: N-(4-氨基苯甲酰)-L-谷氨酸二乙酯是一种谷氨酸衍生物[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-(P-Aminobenzoyl)-L-Glutamic Acid Diethyl Ester 99% Material Safety Data Sheet Synonym: None Known CAS: 13726-52-8 Section 1 - Chemical Product MSDS Name:N-(P-Aminobenzoyl)-L-Glutamic Acid Diethyl Ester 99% Material Safety Data Sheet Synonym:None Known Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS CAS# Chemical Name content EINECS# 13726-52-8 N-(P-Aminobenzoyl)-L-Glutamic Acid Die 99% 237-293-1 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: 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. Wash clothing before reuse. Ingestion: Never give anything by mouth to an unconscious person. Get medical aid. Do NOT induce vomiting. If conscious and alert, rinse mouth and drink 2-4 cupfuls of milk or water. 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: 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. Runoff from fire control or dilution water may cause pollution. Extinguishing Media: Use agent most appropriate to extinguish fire. 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. Remove contaminated clothing and wash before reuse. Use with adequate ventilation. Minimize dust generation and accumulation. Avoid contact with eyes, skin, and clothing. Keep container tightly closed. Avoid ingestion and inhalation. Storage: Keep container closed when not in use. Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances. 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# 13726-52-8: 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: Powder Color: off-white Odor: Not available. pH: Not available. Vapor Pressure: Not available. Viscosity: Not available. Boiling Point: Not available. Freezing/Melting Point: 139.00 - 142.00 deg C Autoignition Temperature: Not applicable. Flash Point: Not applicable. Explosion Limits, lower: Not available. Explosion Limits, upper: Not available. Decomposition Temperature: Solubility in water: solubility 2% in ethanol:clear, faint ye Specific Gravity/Density: Molecular Formula: C16H22N2O5 Molecular Weight: 322.35 Section 10 - STABILITY AND REACTIVITY Chemical Stability: Stable under normal temperatures and pressures. Conditions to Avoid: Incompatible materials, dust generation, excess heat, strong oxidants. Incompatibilities with Other Materials: Oxidizing agents. Hazardous Decomposition Products: Nitrogen oxides, carbon monoxide, irritating and toxic fumes and gases, carbon dioxide, nitrogen. Hazardous Polymerization: Has not been reported Section 11 - TOXICOLOGICAL INFORMATION RTECS#: CAS# 13726-52-8 unlisted. LD50/LC50: Not available. Carcinogenicity: N-(P-Aminobenzoyl)-L-Glutamic Acid Diethyl Ester - 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# 13726-52-8: No information available. Canada None of the chemicals in this product are listed on the DSL/NDSL list. CAS# 13726-52-8 is not listed on Canada's Ingredient Disclosure List. US FEDERAL TSCA CAS# 13726-52-8 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

毒理学数据: 1、急性毒性： 主要的刺激性影响： 在皮肤上面：可能引起发炎； 在眼睛上面：可能引起发炎；没有已知的敏化影响。 生态学数据: 通常对水体是稍微有害的，不要将未稀释或大量产品接触地下水，水道或污水系统，未经政府许可勿将材料排入周围环境。

安全

• 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
• 海关编码: 2924299090

合成路线

7148-24-5 ~99% 13726-52-8

文献：Rahaim Jr., Ronald J.; Maleczka Jr., Robert E. Synthesis, 2006 , # 19 p. 3316 - 3340

76807-65-3 ~0% 13726-52-8 78711-33-8 82855-85-4

文献：Srinivasan, Ananthachari; Amarnath, Venkataraman; Broom, Arthur D.; Zou, F. C.; Cheng, Yung-Chi Journal of Medicinal Chemistry, 1984 , vol. 27, # 12 p. 1710 - 1717

76807-59-5 ~8% 1955-57-3 939436-99-4 13726-52-8

文献：European Journal of Medicinal Chemistry, , vol. 44, # 2 p. 764 - 771

4271-30-1 ~% 13726-52-8

文献：Journal of the American Chemical Society, , vol. 70, p. 20,21,22

496961-74-1 ~% 13726-52-8

文献：DE830791 , ; DRP/DRBP Org.Chem. US2562222 , ;

56-86-0 ~% 13726-52-8

文献：Journal of the Chemical Society, , p. 1401,1404

6758-40-3 ~% 13726-52-8

文献：Journal of the Chemical Society, , p. 1401,1404

122-04-3 ~% 13726-52-8

文献：Journal of the Chemical Society, , p. 1401,1404

上下游产品

上游产品  7
7148-24-5 76807-65-3 76807-59-5 4271-30-1
56-86-0 6758-40-3 122-04-3
下游产品  8
4271-30-1 2378-95-2 76807-63-1 80360-08-3
80360-10-7 80360-12-9 82318-25-0 80015-07-2

海关

海关编码	2924299090
中文概述	2924299090. 其他环酰胺（包括环氨基甲酸酯）（包括其衍生物以及他们的盐）. 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	2924299090. other cyclic amides (including cyclic carbamates) and their derivatives; salts thereof. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:30.0%