504-03-0

• 常用中文名：2,6-二甲基哌啶
• 常用英文名：nanofin
• CAS号：504-03-0
• 分子式：C₇H₁₅N
• 分子量：113.201
• 相关类别： 原料药 循环系统用药 抗高血压病药
• 发布时间：2018-04-17 08:00:00
• 更新时间：2024-01-04 19:00:41
• Nanofin为神经性阻断药, 具有降压效果, 可用于治疗轻中度高血压。

名称

• 中文名: 2,6-二甲基哌啶
• 英文名: 2,6-Dimethylpiperidine
• 中文别名: 二甲哌啶
• 英文别名: nanofin; 2,6-lupetidine; Nanophine; Nanophin; UNII:329I5805BP; nanofine; 2,6-di-methylpiperidine; naniopine; bolandiol; Lupetidin; 2,6-dimethylpiperidin; 2,6-Dimethylpiperidine; MFCD00005986; Naniopin; Piperidine, 2,6-dimethyl-; EINECS 207-981-6; 2,5-DIMETHYL-1-(TETRAHYDROFURAN-2-YLMETHYL)-1H-PYRROLE-3-CARBALDEHYDE

物化性质

• 密度: 0.8±0.1 g/cm3
• 沸点: 127.1±0.0 °C at 760 mmHg
• 熔点: <-20ºC
• 分子式: C₇H₁₅N
• 分子量: 113.201
• 闪点: 11.7±0.0 °C
• 精确质量: 113.120445
• PSA: 12.03000
• LogP: 1.92
• 外观性状: 透明无色至略黄色液体
• 蒸汽压: 11.3±0.2 mmHg at 25°C
• 折射率: 1.417
• 储存条件:

  密封保存，放置在通风，干燥的环境中

• 稳定性:

  按规格使用和贮存，不会发生分解，避免与氧化物接触

• 水溶解性: MISCIBLE
• 分子结构:

  1、 摩尔折射率：35.82

  2、 摩尔体积（m³/mol）：142.4

  3、 等张比容（90.2K）：311.6

  4、 表面张力（dyne/cm）：22.9

  5、 极化率（10 ^-24 cm ³）：14.20

• 计算化学:

  1.疏水参数计算参考值（XlogP）:无

  2.氢键供体数量:1

  3.氢键受体数量:1

  4.可旋转化学键数量:0

  5.互变异构体数量:无

  6.拓扑分子极性表面积12

  7.重原子数量:8

  8.表面电荷:0

  9.复杂度:62.8

  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:2

  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：未确定

  2. 密度（g/ cm³,25/4℃）：0.84

  3. 相对蒸汽密度（g/cm³,空气=1）：未确定

  4. 熔点（ºC）：<-20

  5. 沸点（ºC,常压）：127-128

  6. 沸点（ºC,5.2kPa）：未确定

  7. 折射率：1.4394

  8. 闪点（ºF）：53

  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：易溶于水

生物活性

• 描述: Nanofin为神经性阻断药, 具有降压效果, 可用于治疗轻中度高血压。
• 相关类别:
  信号通路 >> 其他 >> 其他
  研究领域 >> 心血管疾病

MSDS

Material Safety Data Sheet Section1. Identification of the substance Product Name: 2,6-Dimethylpiperidine Synonyms:2,6-Lupetidine Section2. Hazards identification Harmful by inhalation, in contact with skin, and if swallowed. Section3. Composition/information on ingredients. Ingredient name:2,6-Dimethylpiperidine CAS number:504-03-0 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:C7H15N Molecular weight:113.2 Section10. Stability and reactivity Conditions to avoid: Heat, flames and sparks. Materials to avoid: Oxidizing agents. Possible hazardous combustion products: Carbon monoxide, nitrogen oxides. 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

毒理学数据: 1、急性毒性：兔子经皮肤LDLo：400mg/kg，除致死剂量外无详细说明； 青蛙经未知途径LDLo：625mg/kg，周围神经和感觉-痉挛性瘫痪或无感觉，肺部，胸部或呼吸-呼吸困难。 生态学数据: 该物质对环境可能有危害，对水体应给予特别注意。 CHEMICAL IDENTIFICATION RTECS NUMBER : OK5775000 CHEMICAL NAME : 2,6-Lupetidine CAS REGISTRY NUMBER : 504-03-0 BEILSTEIN REFERENCE NO. : 0079827 LAST UPDATED : 199709 DATA ITEMS CITED : 3 MOLECULAR FORMULA : C7-H15-N MOLECULAR WEIGHT : 113.23 WISWESSER LINE NOTATION : T6MTJ B1 F1 HEALTH HAZARD DATA ACUTE TOXICITY DATA TYPE OF TEST : LDLo - Lowest published lethal dose ROUTE OF EXPOSURE : Subcutaneous SPECIES OBSERVED : Rodent - rabbit DOSE/DURATION : 400 mg/kg TOXIC EFFECTS : Details of toxic effects not reported other than lethal dose value REFERENCE : BDCGAS Berichte der Deutschen Chemischen Gesellschaft. (Leipzig, Ger. Dem. Rep.) V.1-61, 1868-1928. For publisher information, see CHBEAM. Volume(issue)/page/year: 34,2408,1901 TYPE OF TEST : LDLo - Lowest published lethal dose ROUTE OF EXPOSURE : Unreported SPECIES OBSERVED : Amphibian - frog DOSE/DURATION : 625 mg/kg TOXIC EFFECTS : Peripheral Nerve and Sensation - spastic paralysis with or without sensory change Lungs, Thorax, or Respiration - dyspnea REFERENCE : 85IXA4 "Structure et Activite Pharmacodyanmique des Medicaments du Systeme Nerveux Vegetatif," Bovet, D., and F. Bovet-Nitti, New York, S. Karger, 1948 Volume(issue)/page/year: -,595,1948

安全

• 危害码 (欧洲): F: Flammable;C: Corrosive;
• 风险声明 (欧洲): R11;R34
• 安全声明 (欧洲): S16-S26-S36/37/39
• 危险品运输编码: UN 1993 3/PG 2
• WGK德国: 3
• RTECS号: OK5775000
• 包装等级: II
• 危险类别: 3
• 海关编码: 2933399090

合成路线

196208-23-8 ~% 504-03-0

文献：Kim, Young Kwan; Livinghouse, Tom Angewandte Chemie - International Edition, 2002 , vol. 41, # 19 p. 3645 - 3647

13505-34-5 ~% 504-03-0

文献：Boga; Manescalchi; Savoia Tetrahedron, 1994 , vol. 50, # 16 p. 4709 - 4722

17721-95-8 ~% 504-03-0

文献：Singer, Sandra S.; Singer, George M.; Cole, Barbara B. Journal of Organic Chemistry, 1980 , vol. 45, # 24 p. 4931 - 4935

163518-07-8 ~% 504-03-0

文献：Ogura, Tomohito; Higashihara, Tomoya; Ueda, Mitsuru Journal of Polymer Science, Part A: Polymer Chemistry, 2010 , vol. 48, # 6 p. 1317 - 1323

6830-30-4 70-55-3 ~% 144-86-5 504-03-0

文献：Dannan; Crooks; Dittert; Hussain Journal of Pharmaceutical Sciences, 1992 , vol. 81, # 7 p. 652 - 656

上下游产品

上游产品  5
13505-34-5 17721-95-8 163518-07-8 6830-30-4
70-55-3
下游产品  9
182129-27-7 108-48-5 75-83-2 33681-23-1
17721-95-8 6830-30-4 825-28-5 97226-77-2
5632-03-1

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%