79513-35-2

• 常用中文名：N-Boc-乙二胺盐酸盐
• 常用英文名：tert-Butyl-(2-aminoethyl)carbamathydrochlorid
• CAS号：79513-35-2
• 分子式：C₇H₁₇ClN₂O₂
• 分子量：196.675
• 发布时间：2018-04-17 08:00:00
• 更新时间：2024-01-07 16:29:30

名称

• 中文名: N-Boc-乙二胺盐酸盐
• 英文名: N-Boc-Ethylenediamine Hydrochloride
• 中文别名: N-乙二胺盐酸盐; N-Boc-乙烯二胺盐酸盐
• 英文别名: MFCD01076129; 2-Methyl-2-propanyl (2-aminoethyl)carbamate hydrochloride; tert-Butyl (2-aminoethyl)carbamate hydrochloride (1:1); Carbamic acid, N-(2-aminoethyl)-, 1,1-dimethylethyl ester, hydrochloride (1:1); tert-butyl N-(2-aminoethyl)carbamate,hydrochloride; 2-Methyl-2-propanyl (2-aminoethyl)carbamate hydrochloride (1:1); tert-Butyl (2-aminoethyl)carbamate hydrochloride; tert-Butyl-(2-aminoethyl)carbamathydrochlorid; Boc-EDA·HCl

物化性质

• 沸点: 252.8ºC at 760 mmHg
• 熔点: 148-151°C
• 分子式: C₇H₁₇ClN₂O₂
• 分子量: 196.675
• 闪点: 106.7ºC
• 精确质量: 196.097855
• PSA: 64.35000
• LogP: 2.36300
• 外观性状: 白色到灰白色 粉末 晶体
• 储存条件:

  存放在密封容器内，并放在阴凉，干燥处。储存的地方必须远离氧化剂。避免接触水源和湿气。2-8 ºC保存。

• 稳定性:

  远离氧化物，水分。

• 计算化学:

  1.疏水参数计算参考值（XlogP）:无

  2.氢键供体数量:3

  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:2

  6.拓扑分子极性表面积64.4

  7.重原子数量:12

  8.表面电荷:0

  9.复杂度:129

  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:2

• 更多:

  1. 性状：白色固体。

  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）：148-151

  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）：未确定

  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：可溶于水。

MSDS

Material Safety Data Sheet Section1. Identification of the substance Product Name: N-Boc-Ethylenediamine, HCl Synonyms: Section2. Hazards identification Harmful by inhalation, in contact with skin, and if swallowed. Section3. Composition/information on ingredients. Ingredient name:N-Boc-Ethylenediamine, HCl CAS number:79513-35-2 Section4. First aid measures Skin contact:Immediately wash skin with copious amounts of water for at least 15 minutes while removing contaminated clothing and shoes. If irritation persists, seek medical attention. Eye contact:Immediately wash skin with copious amounts of water for at least 15 minutes. Assure adequate flushing of the eyes by separating the eyelids with fingers. If irritation persists, seek medical attention. Inhalation:Remove to fresh air. In severe cases or if symptoms persist, seek medical attention. Ingestion:Wash out mouth with copious amounts of water for at least 15 minutes. Seek medical attention. Section5. Fire fighting measures In the event of a fire involving this material, alone or in combination with other materials, use dry powder or carbon dioxide extinguishers. Protective clothing and self-contained breathing apparatus should be worn. Section6. Accidental release measures Personal precautions: Wear suitable personal protective equipment which performs satisfactorily and meets local/state/national standards. Respiratory precaution:Wear approved mask/respirator Hand precaution:Wear suitable gloves/gauntlets Skin protection:Wear suitable protective clothing Eye protection:Wear suitable eye protection Methods for cleaning up: Mix with sand or similar inert absorbent material, sweep up and keep in a tightly closed container for disposal. See section 12. Environmental precautions: Do not allow material to enter drains or water courses. Section7. Handling and storage Handling:This product should be handled only by, or under the close supervision of, those properly qualified in the handling and use of potentially hazardous chemicals, who should take into account the fire, health and chemical hazard data given on this sheet. Store in closed vessels. Storage: Section8. Exposure Controls / Personal protection Engineering Controls: Use only in a chemical fume hood. Personal protective equipment: Wear laboratory clothing, chemical-resistant gloves and safety goggles. General hydiene measures: Wash thoroughly after handling. Wash contaminated clothing before reuse. Section9. Physical and chemical properties Appearance:Not specified Boiling point:No data No data Melting point: Flash point:No data Density:No data Molecular formula:C7H16N2O2.ClH Molecular weight:196.7 Section10. Stability and reactivity Conditions to avoid: Heat, flames and sparks. Materials to avoid: Oxidizing agents. Possible hazardous combustion products: Carbon monoxide, nitrogen oxides, hydrogen chloride. Section11. Toxicological information No data. Section12. Ecological information No data. Section13. Disposal consideration Arrange disposal as special waste, by licensed disposal company, in consultation with local waste disposal authority, in accordance with national and regional regulations. Section14. Transportation information Non-harzardous for air and ground transportation. Section15. Regulatory information No chemicals in this material are subject to the reporting requirements of SARA Title III, Section 302, or have known CAS numbers that exceed the threshold reporting levels established by SARA Title III, Section 313. SECTION 16 - ADDITIONAL INFORMATION N/A

毒性和生态

生态学数据: 对水稍微有危害的，不要让未稀释或者大量产品接触地下水，水道或者污水系统。若无政府许可，勿将材料排入周围环境。

安全

• 危害码 (欧洲): F+
• 安全声明 (欧洲): S22-S24/25

合成路线

33105-93-0 ~35% 79513-35-2

文献：Journal of Organic Chemistry, , vol. 64, # 13 p. 4627 - 4634

24424-99-5 333-18-6 ~84% 79513-35-2

文献：Liebigs Annalen der Chemie, , # 9 p. 941 - 946

24424-99-5 ~% 79513-35-2

文献：Synthesis, , p. 366 - 368

26690-80-2 ~% 79513-35-2

文献：Synthesis, , p. 366 - 368

96628-67-0 ~% 79513-35-2

文献：Synthesis, , p. 366 - 368

上下游产品

上游产品  5
33105-93-0 24424-99-5 333-18-6 26690-80-2
96628-67-0
下游产品  0