95630-76-5

• 常用中文名：乙基3-外双环氨基[2.2.1]庚烷-2-内羧酸盐酸盐
• 常用英文名：diendo-3-amino-bicyclo[2.2.1]heptane-2-carboxylic acid ethyl ester hydrochloride
• CAS号：95630-76-5
• 分子式：C₁₀H₁₈ClNO₂
• 分子量：219.70800
• 发布时间：2019-01-01 16:34:50
• 更新时间：2024-05-12 07:50:33

名称

• 中文名: 乙基3-外双环氨基[2.2.1]庚烷-2-内羧酸盐酸盐
• 英文名: diendo-3-amino-bicyclo[2.2.1]heptane-2-carboxylic acid ethyl ester hydrochloride
• 英文别名: MFCD00144271; ethyl endo-3-aminobicyclo<2.2.1>heptane-2-endo-carboxylate hydrochloride; ethyl endo-3-aminobicyclo<2.2.1>heptane-endo-2-carboxylate hydrochloride

物化性质

• 沸点: 254.148ºC at 760 mmHg
• 熔点: 187-188ºC
• 分子式: C₁₀H₁₈ClNO₂
• 分子量: 219.70800
• 闪点: 117.609ºC
• 精确质量: 219.10300
• PSA: 52.32000
• LogP: 2.42520
• 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：49.47

  2、 摩尔体积（m³/mol）：166.9

  3、 等张比容（90.2K）：418.5

  4、 表面张力（dyne/cm）：39.5

  5、 极化率（10^-24cm³）：19.61

• 计算化学:

  1、 疏水参数计算参考值（XlogP）：1.4

  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、 拓扑分子极性表面积（TPSA）：53.9

  6、 重原子数量：13

  7、 表面电荷：1

  8、 复杂度：217

  9、 同位素原子数量：0

  10、 确定原子立构中心数量：4

  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）：187-188

  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: Ethyl 3-endo-aminobicyclo [2 2 1] heptane-2-endo-carboxylate Material Safety Data Sheet Synonym: None listed CAS: 95630-76-5 Section 1 - Chemical Product MSDS Name:Ethyl 3-endo-aminobicyclo [2 2 1] heptane-2-endo-carboxylate Material Safety Data Sheet Synonym:None listed Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS CAS# Chemical Name content EINECS# 95630-76-5 Ethyl 3-endo-aminobicyclo[2,2,1]heptan 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: 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. 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: Sweep up or absorb material, then place into a suitable clean, dry, closed container for disposal. 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 contact with eyes, skin, and clothing. Avoid ingestion and inhalation. Storage: 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# 95630-76-5: 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: A respiratory protection program that meets OSHA's 29 CFR 1910.134 and ANSI Z88.2 requirements or European Standard EN 149 must be followed whenever workplace conditions warrant respirator use. Section 9 - PHYSICAL AND CHEMICAL PROPERTIES Physical State: Crystalline powder Color: white to light brown - grey Odor: none reported pH: Not available. Vapor Pressure: Not available. Viscosity: Not available. Boiling Point: Not available. Freezing/Melting Point: 187 - 188 deg C Autoignition Temperature: Not applicable. Flash Point: Not applicable. Explosion Limits, lower: Not available. Explosion Limits, upper: Not available. Decomposition Temperature: Not available. Solubility in water: Soluble. Specific Gravity/Density: Not available. Molecular Formula: C10H17NO2.HCl Molecular Weight: 219.71 Section 10 - STABILITY AND REACTIVITY Chemical Stability: Stable under normal temperatures and pressures. Conditions to Avoid: Incompatible materials. Incompatibilities with Other Materials: Oxidizing agents. Hazardous Decomposition Products: Hydrogen chloride, carbon monoxide, oxides of nitrogen, irritating and toxic fumes and gases, carbon dioxide. Hazardous Polymerization: Has not been reported Section 11 - TOXICOLOGICAL INFORMATION RTECS#: CAS# 95630-76-5 unlisted. LD50/LC50: Not available. Carcinogenicity: Ethyl 3-endo-aminobicyclo[2,2,1]heptane-2-endo-carboxylate 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 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# 95630-76-5: No information available. Canada None of the chemicals in this product are listed on the DSL/NDSL list. CAS# 95630-76-5 is not listed on Canada's Ingredient Disclosure List. US FEDERAL TSCA CAS# 95630-76-5 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

• 安全声明 (欧洲): S24/25