6398-98-7

• 常用中文名：阿莫地喹盐酸盐
• 常用英文名：Amodiaquin dihydrochloride dihydrate
• CAS号：6398-98-7
• 分子式：C₂₀H₂₂ClN₃O_.2H₂O_.2HCl
• 分子量：464.81
• 相关类别： 分析化学 标准品 分析标准品
• 发布时间：2018-06-26 18:22:06
• 更新时间：2024-01-08 18:54:13
• Amodiaquine二盐酸盐二水合物是组胺N-甲基转移酶抑制剂,用作抗疟和抗炎剂。

名称

• 中文名: 氨酚喹 二盐酸盐 二水合物
• 英文名: amodiaquine hydrochloride
• 中文别名: 阿莫地喹盐酸盐
• 英文别名: UNII:K6PW2S574L; Amodiaquine hydrochloride USP24; Amodiaquin dihydrochloride dihydrate; AMODIAQUIN DIHYDROCHLORIDE DIHYDATE; MFCD00078857; Amodiaquin hydrochloride dihydrate; AMODIAQUIN HYDROCHLORIDE; AMODIAQUINE 2HCL DIHYDRATE; EINECS 200-706-0; Phenol, 4-[(7-chloro-4-quinolinyl)amino]-2-[(diethylamino)methyl]-, hydrochloride, hydrate (1:2:2); AMODIAQUIN DIHYDROCHLORIDE; AMODIAQUINE HCL; 4-[(7-Chloro-4-quinolinyl)amino]-2-[(diethylamino)methyl]phenol dihydrochloride dihydrate; AMODIAQUINE DIHYDROCHLORIDE

物化性质

• 沸点: 535.4ºC at 760 mmHg
• 分子式: C₂₀H₂₂ClN₃O_.2H₂O_.2HCl
• 分子量: 464.81
• 闪点: 277.6ºC
• PSA: 48.39000
• LogP: 6.85620
• 外观性状: 固体;White to Yellow to Orange powder to crystal
• 储存条件:

  避光，阴凉干燥处，密封保存

• 稳定性:

  常温常压下稳定，色结晶性粉末，无嗅或近乎无嗅。

• 水溶解性: 水溶性：可溶；可溶于：甲醇；极微溶：苯,氯仿,乙醚；不溶：醇
• 分子结构:

  1、 摩尔折射率：105.50

  2、 摩尔体积（m³/mol）：282.7

  3、 等张比容（90.2K）：771.1

  4、 表面张力（dyne/cm）：55.2

  5、 极化率（10 ^-24cm ³）：41.82

• 计算化学:

  1、 氢键供体数量：6

  2、 氢键受体数量：6

  3、 可旋转化学键数量：6

  4、 互变异构体数量：13

  5、 拓扑分子极性表面积（TPSA）：50.4

  6、 重原子数量：29

  7、 表面电荷：0

  8、 复杂度：406

  9、 同位素原子数量：0

  10、 确定原子立构中心数量： 0

  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：5

• 更多:

  1. 性状：黄色结晶性粉末，无嗅或近乎无嗅

  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）：未确定

  5. 沸点（ºC,常压）：未确定

  6. 沸点（ºC，1mmHg）：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（20ºC）：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: Amodiaquine二盐酸盐二水合物是组胺N-甲基转移酶抑制剂,用作抗疟和抗炎剂。
• 相关类别:
  信号通路 >> 表观遗传学 >> 组蛋白甲基转移酶
  研究领域 >> 炎症/免疫

MSDS

Material Safety Data Sheet Section1. Identification of the substance Product Name: Amodiaquin diHCl dihydrate Synonyms: Section2. Hazards identification Harmful by inhalation, in contact with skin, and if swallowed. Section3. Composition/information on ingredients. Ingredient name:Amodiaquin diHCl dihydrate CAS number:6398-98-7 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:C20H22ClN3O.2ClH.2H2O Molecular weight:464.8 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: 对水少是稍微危害的，不要让未稀释或大量的产品接触地下水、水道或污水系统 若无政府许可，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
• 危害码 (欧洲): Xn
• 危险品运输编码: NONH for all modes of transport
• WGK德国: 3