1205-72-7

• 常用中文名：1-苄基-4-氨基哌啶二盐酸盐
• 常用英文名：4-Amino-1-benzylpiperidine dihydrochloride hydrate
• CAS号：1205-72-7
• 分子式：C₁₂H₁₉ClN₂
• 分子量：226.74600
• 相关类别： 医药中间体 杂环化合物 吡啶类化合物 吡啶衍生物
• 发布时间：2018-12-09 09:37:03
• 更新时间：2024-01-04 18:21:59

名称

• 中文名: 4-氨基-1-二氢氯化苯甲基哌啶
• 英文名: 1-Benzylpiperidin-4-amine dihydrochloride
• 中文别名: 4-氨基-1-苄基哌啶二盐酸盐水合物; 1-苄基-4-氨基哌啶二盐酸盐
• 英文别名: EINECS 214-886-3; 1-BENZYL-4-AMINOPIPERIDINE; 4-AMINO-1-BENZYLPIPERIDINE DIHYDROCHLORIDEHYDRATE; 4-AMINO-1-BENZYLPIPERIDINE DIHYDROCHLORIDE; 1-benzylpiperidin-4-amine dihydrochloride; 4-AMINO-1-BENZYLPIPERIDIN DIHYDROCHLORID HYDRATE; 1-BENZYL-4-AMINOPIPERIDINE 2HCL; 4-PIPERIDINAMINE,1-(PHENYLMETHYL)-, HYDROCHLORIDE (1:2); 1-BENZYL-4-AMINOPIPERIDINEDIHYDROCHLORIDE; 4-Amino-1-benzylpiperidine dihydrochloride hydrate; 1-BENZYL-4-AMINOPIPERIDINE DIHYDROCHLORIDE; 4-AMINO-1-BENZYLPIPERIDINE 2HCLHYDRATE; CH04545 1-BENZYL-4-AMINOPIPERIDINE DIHYDROCHLORIDE

物化性质

• 沸点: 349ºC at 760 mmHg
• 分子式: C₁₂H₁₉ClN₂
• 分子量: 226.74600
• 闪点: 164.8ºC
• 精确质量: 226.12400
• PSA: 29.26000
• LogP: 3.04990
• 外观性状: 淡黄色至白色
• 蒸汽压: 0.00363mmHg at 25°C
• 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，避免与强氧化剂接触。
• 计算化学:

  1、 疏水参数计算参考值（XlogP）：

  2、 氢键供体数量：1

  3、 氢键受体数量：3

  4、 可旋转化学键数量：2

  5、 互变异构体数量：

  6、 拓扑分子极性表面积（TPSA）：29.3

  7、 重原子数量：15

  8、 表面电荷：-1

  9、 复杂度：156

  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：浅黄色或白色结晶性粉末

  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）：未确定

  5. 沸点（ºC,常压）：未确定

  6. 沸点（ºC,12mmHg）：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：未确定

MSDS

Name: 4-Amino-1-benzylpiperidine dihydrochloride hydrate Material Safety Data Sheet Synonym: CAS: 1205-72-7 Section 1 - Chemical Product MSDS Name:4-Amino-1-benzylpiperidine dihydrochloride hydrate Material Safety Data Sheet Synonym: Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS CAS# Chemical Name content EINECS# 1205-72-7 4-Amino-1-benzylpiperidine dihydrochlo 214-886-3 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. The toxicological properties of this material have not been fully investigated. Skin: May cause skin irritation. The toxicological properties of this material have not been fully investigated. 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. Get medical aid immediately. 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. Remove contaminated clothing and shoes. Ingestion: If victim is conscious and alert, give 2-4 cupfuls of milk or water. Never give anything by mouth to an unconscious person. Get medical aid. Get medical aid immediately. Do NOT induce vomiting. If conscious and alert, rinse mouth and drink 2-4 cupfuls of milk or water. Inhalation: Get medical aid immediately. 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 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: Clean up spills immediately, observing precautions in the Protective Equipment section. Sweep up or absorb material, then place into a suitable clean, dry, closed container for disposal. Provide ventilation. Section 7 - HANDLING and STORAGE Handling: Wash thoroughly after handling. Remove contaminated clothing and wash before reuse. Use with adequate ventilation. Avoid contact with eyes, skin, and clothing. Keep container tightly closed. Avoid ingestion and inhalation. Storage: Store in a cool, dry place. 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: Use adequate ventilation to keep airborne concentrations low. Use process enclosure, local exhaust ventilation, or other engineering controls to control airborne levels. Exposure Limits CAS# 1205-72-7: Personal Protective Equipment Eyes: Wear chemical splash goggles. 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 minimize contact with skin. 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. 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: Crystalline powder Color: very slight yellow to white Odor: Not available. pH: Not available. Vapor Pressure: Not available. Viscosity: Not available. Boiling Point: Not available. Freezing/Melting Point: Not available. Autoignition Temperature: Not available. Flash Point: Not available. Explosion Limits, lower: Not available. Explosion Limits, upper: Not available. Decomposition Temperature: Solubility in water: Specific Gravity/Density: Molecular Formula: C12H18N2.2HCl.xH2O Molecular Weight: 263.20 Section 10 - STABILITY AND REACTIVITY Chemical Stability: Stable under normal temperatures and pressures. Stability unknown. Conditions to Avoid: Incompatible materials, strong oxidants. Incompatibilities with Other Materials: Oxidizing agents. Hazardous Decomposition Products: Irritating and toxic fumes and gases. Hazardous Polymerization: Not available. Section 11 - TOXICOLOGICAL INFORMATION RTECS#: CAS# 1205-72-7 unlisted. LD50/LC50: Not available. Carcinogenicity: 4-Amino-1-benzylpiperidine dihydrochloride hydrate - 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. S 28A After contact with skin, wash immediately with plenty of water. S 37 Wear suitable gloves. S 45 In case of accident or if you feel unwell, seek medical advice immediately (show the label where possible). WGK (Water Danger/Protection) CAS# 1205-72-7: No information available. Canada None of the chemicals in this product are listed on the DSL/NDSL list. CAS# 1205-72-7 is not listed on Canada's Ingredient Disclosure List. US FEDERAL TSCA CAS# 1205-72-7 is not listed on the TSCA inventory. It is for research and development use only. SECTION 16 - ADDITIONAL INFORMATION N/A

安全

• 安全声明 (欧洲): S24/25
• 海关编码: 2933399090

合成路线

3612-20-2 ~% 1205-72-7

文献：Farmaco, Edizione Scientifica, , vol. 35, # 11 p. 951 - 964

海关

海关编码	2933399090
中文概述	2933399090. 其他结构含非稠合吡啶环的化合物. 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:20.0%
申报要素	品名, 成分含量, 用途, 乌洛托品请注明外观, 6－己内酰胺请注明外观, 签约日期
Summary	2933399090. other compounds containing an unfused pyridine ring (whether or not hydrogenated) in the structure. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%