1127-99-7

• 常用中文名：顺式-2-氨基-1-环己羧酸乙酯盐酸盐
• 常用英文名：cis-Ethyl 2-aminocyclohexanecarboxylate hydrochloride
• CAS号：1127-99-7
• 分子式：C₉H₁₈ClNO₂
• 分子量：207.69800
• 相关类别： 化学试剂 有机试剂 酯类 其他酯类化合物
• 发布时间：2018-12-31 12:51:31
• 更新时间：2024-07-14 20:48:48

名称

• 中文名: 顺式-2-氨基-1-环己羧酸乙酯盐酸盐
• 英文名: Ethyl cis-2-amino-1-cyclohexanecarboxylate hydrochloride
• 中文别名: 顺-2-氨基-1-环己羧酸乙酯盐酸盐
• 英文别名: ethyl cis-2-amino-1-cyclohexanecarboxylate hydrochloride

物化性质

• 熔点: 128-135 ℃
• 分子式: C₉H₁₈ClNO₂
• 分子量: 207.69800
• 精确质量: 207.10300
• PSA: 52.32000
• LogP: 2.56930
• 外观性状: Crystalline Powder or Chunks | White to almost white
• 储存条件:

  密封储存，储存于阴凉、干燥的库房。

• 稳定性:

  常温常压下稳定，避免暴露在潮湿空气和水中。

• 分子结构:

  1、摩尔折射率：无可用的

  2、摩尔体积（cm³/mol）：无可用的

  3、等张比容（90.2K）：无可用的

  4、表面张力（dyne/cm）：无可用的

  5、介电常数：无可用的

  6、极化率（10^-24cm³）：无可用的

  7、单一同位素质量：207.102607 Da

  8、标称质量：207 Da

  9、平均质量：207.6977 Da

• 计算化学:

  1、 疏水参数计算参考值（XlogP）：1.5

  2、 氢键供体数量：1

  3、 氢键受体数量：2

  4、 可旋转化学键数量：3

  5、 互变异构体数量：

  6、 拓扑分子极性表面积（TPSA）：53.9

  7、 重原子数量：12

  8、 表面电荷：1

  9、 复杂度：159

  10、同位素原子数量：0

  11、确定原子立构中心数量：2

  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：白色块状粉末

  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）：128-135

  5. 沸点（ºC,常压）：未确定

  6. 沸点（ºC,9mmHg）：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（kPa,55ºC）：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：溶于水

MSDS

Name: Ethyl cis-2-amino-1-cyclohexane-carboxylate hydrochloride 95% Material Safety Data Sheet Synonym: None Known CAS: 1127-99-7 Section 1 - Chemical Product MSDS Name:Ethyl cis-2-amino-1-cyclohexane-carboxylate hydrochloride 95% Material Safety Data Sheet Synonym:None Known Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS CAS# Chemical Name content EINECS# 1127-99-7 Ethyl cis-2-amino-1-cyclohexanecarboxy 95% 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.Moisture sensitive. 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: If inhaled, remove to fresh air. 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 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. 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. Avoid breathing dust, vapor, mist, or gas. Avoid contact with eyes, skin, and clothing. Avoid contact with skin and eyes. Keep container tightly closed. Avoid ingestion and inhalation. Keep from contact with moist air and steam. Storage: Store in a cool, dry place. Store in a tightly closed container. Store protected from moisture. 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# 1127-99-7: Personal Protective Equipment Eyes: Wear chemical splash goggles. Skin: Wear appropriate protective gloves to prevent skin exposure. Clothing: Wear a chemical apron. Respirators: A NIOSH/MSHA approved air purifying dust or mist respirator or European Standard EN 149. Section 9 - PHYSICAL AND CHEMICAL PROPERTIES Physical State: Powder and chunks Color: off-white Odor: Not available. pH: Not available. Vapor Pressure: Not available. Viscosity: Not available. Boiling Point: Not available. Freezing/Melting Point: 128 - 135 deg C Autoignition Temperature: Not available. Flash Point: Not available. Explosion Limits, lower: Not available. Explosion Limits, upper: Not available. Decomposition Temperature: >300 deg C Solubility in water: soluble in water Specific Gravity/Density: Molecular Formula: C9H17NO2.HCl Molecular Weight: 207.70 Section 10 - STABILITY AND REACTIVITY Chemical Stability: Stable under normal temperatures and pressures. Moisture sensitive. Conditions to Avoid: Dust generation, moisture. Incompatibilities with Other Materials: Strong oxidizing agents. Hazardous Decomposition Products: Hydrogen chloride, nitrogen oxides, carbon monoxide, carbon dioxide. Hazardous Polymerization: Has not been reported. Section 11 - TOXICOLOGICAL INFORMATION RTECS#: CAS# 1127-99-7 unlisted. LD50/LC50: Not available. Carcinogenicity: Ethyl cis-2-amino-1-cyclohexanecarboxylate hydrochloride - 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# 1127-99-7: No information available. Canada None of the chemicals in this product are listed on the DSL/NDSL list. CAS# 1127-99-7 is not listed on Canada's Ingredient Disclosure List. US FEDERAL TSCA CAS# 1127-99-7 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): Xi
• 安全声明 (欧洲): 24/25
• 海关编码: 2922499990

合成路线

64-17-5 13149-00-3 ~% 1127-99-7

文献：Journal of Medicinal Chemistry, , vol. 56, # 5 p. 2160 - 2164

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海关

海关编码	2922499990
中文概述	2922499990 其他氨基酸及其酯及它们的盐（含有一种以上含氧基的除外）. 增值税率:17.0% 退税率:9.0% 监管条件:AB(入境货物通关单,出境货物通关单) 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, 乙醇胺及其盐应报明色度, 乙醇胺及其盐应报明包装
监管条件	A.入境货物通关单 B.出境货物通关单
检验检疫	P.进境动植物、动植物产品检疫 Q.出境动植物、动植物产品检疫 R.进口食品卫生监督检验 S.出口食品卫生监督检验 M.进口商品检验 N.出口商品检验
Summary	HS:2922499990 other amino-acids, other than those containing more than one kind of oxygen function, and their esters; salts thereof VAT:17.0% Tax rebate rate:9.0% Supervision conditions:AB(certificate of inspection for goods inward,certificate of inspection for goods outward) MFN tariff:6.5% General tariff:30.0%