13078-04-1

• 常用中文名：DL-八角枫碱
• 常用英文名：(±)-Anabasine
• CAS号：13078-04-1
• 分子式：C₁₀H₁₄N₂
• 分子量：162.232
• 相关类别： 天然产物 生物碱
• 发布时间：2018-09-06 21:13:34
• 更新时间：2024-01-02 20:21:59
• (±) Anabasine 是一种肌肉松弛剂,可用于外科手术时肌肉松驰。

名称

• 中文名: (±)-毒藜碱
• 英文名: anabasine
• 中文别名: DL-八角枫碱
• 英文别名: (R,S)-3-(2-Piperidinyl)Pyridine; 3-(piperidin-2-yl)pyridine; Pyridine, 3-(2-piperidinyl)-; Anabasine; MFCD00006370; (±)-Anabasine; DL-Anabasine; 3-Piperidin-2-ylpyridine; (R,S)-Anabasine; 3-(2-Piperidinyl)pyridine; (-)-ANABASINE

物化性质

• 密度: 1.0±0.1 g/cm3
• 沸点: 271.0±0.0 °C at 760 mmHg
• 熔点: 9ºC
• 分子式: C₁₀H₁₄N₂
• 分子量: 162.232
• 闪点: 93.3±0.0 °C
• 精确质量: 162.115692
• PSA: 24.92000
• LogP: 0.85
• 外观性状: 无色油状
• 蒸汽压: 0.0±0.5 mmHg at 25°C
• 折射率: 1.524
• 储存条件:

  常温密闭，阴凉通风干燥

• 稳定性:

  常温常压下稳定

  避免的物料 氧化物
• 水溶解性: H2O: 10 mg/mL
• 分子结构:

  1、 摩尔折射率：48.94

  2、 摩尔体积（m³/mol）：159.8

  3、 等张比容（90.2K）：400.5

  4、 表面张力（dyne/cm）：39.5

  5、 极化率（10^-24cm³）：19.40

• 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:2

  4.可旋转化学键数量:1

  5.互变异构体数量:无

  6.拓扑分子极性表面积24.9

  7.重原子数量:12

  8.表面电荷:0

  9.复杂度:136

  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:1

  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：浅色至黄色液体。

  2. 密度（g/mL, 25 ℃ ）：1.05

  3. 相对蒸汽密度（g/mL,空气=1）：未确定

  4. 熔点（ºC）：9

  5. 沸点（ºC,常压）：270

  6. 沸点（ºC，10mmHg）：未确定

  7. 折射率：1.5440

  8. 闪点（ºC）：93

  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：溶于水，10mg/mL

生物活性

• 描述: (±) Anabasine 是一种肌肉松弛剂,可用于外科手术时肌肉松驰。
• 相关类别:
  天然产物 >> 其他
  研究领域 >> 其他
• 靶点:

  Human Endogenous Metabolite

MSDS

Name: 2-Pyridin-3-ylpiperidine tech Material Safety Data Sheet Synonym: AnabasineNeonicotin CAS: 13078-04-1 Section 1 - Chemical Product MSDS Name:2-Pyridin-3-ylpiperidine tech Material Safety Data Sheet Synonym:AnabasineNeonicotin Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS CAS# Chemical Name content EINECS# 13078-04-1 2-Pyridin-3-ylpiperidine unlisted Hazard Symbols: T Risk Phrases: 23/24/25 Section 3 - HAZARDS IDENTIFICATION EMERGENCY OVERVIEW Toxic by inhalation, in contact with skin and if swallowed.Hygroscopic (absorbs moisture from the air).Light sensitive. Potential Health Effects Eye: May cause eye irritation. Skin: May cause skin irritation. Toxic in contact with skin. Ingestion: May cause irritation of the digestive tract. Toxic if swallowed. Inhalation: May cause respiratory tract irritation. Toxic if inhaled. Chronic: Not available. Section 4 - FIRST AID MEASURES Eyes: Immediately flush eyes with plenty of water for at least 15 minutes, occasionally lifting the upper and lower eyelids. Get medical aid immediately. Skin: Get medical aid immediately. Immediately flush skin with plenty of water for at least 15 minutes while removing contaminated clothing and shoes. Ingestion: Get medical aid immediately. Wash mouth out with 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. 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. Extinguishing Media: Use water spray, dry chemical, carbon dioxide, or chemical foam. Section 6 - ACCIDENTAL RELEASE MEASURES General Information: Use proper personal protective equipment as indicated in Section 8. Spills/Leaks: Absorb spill with inert material (e.g. vermiculite, sand or earth), then place in suitable container. Section 7 - HANDLING and STORAGE Handling: Do not breathe dust, vapor, mist, or gas. Do not get in eyes, on skin, or on clothing. Use only in a chemical fume hood. Storage: Keep away from sources of ignition. Store in a cool, dry place. Do not store in direct sunlight. Store in a tightly closed container. Section 8 - EXPOSURE CONTROLS, PERSONAL PROTECTION Engineering Controls: Use adequate ventilation to keep airborne concentrations low. Exposure Limits CAS# 13078-04-1: Personal Protective Equipment Eyes: Not available. Skin: Wear appropriate protective gloves to prevent skin exposure. Clothing: Wear appropriate protective clothing to prevent skin exposure. Respirators: 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: Liquid Color: colorless - yellow - orange Odor: Not available. pH: Not available. Vapor Pressure: Not available. Viscosity: Not available. Boiling Point: 270 - 272 deg C Freezing/Melting Point: 9 deg C Autoignition Temperature: Not available. Flash Point: 93 deg C ( 199.40 deg F) Explosion Limits, lower: Not available. Explosion Limits, upper: Not available. Decomposition Temperature: Not available. Solubility in water: Specific Gravity/Density: 1.046 Molecular Formula: C10H14N2 Molecular Weight: 162 Section 10 - STABILITY AND REACTIVITY Chemical Stability: Not available. Conditions to Avoid: Incompatible materials, light, exposure to moist air or water. Incompatibilities with Other Materials: Oxidizing agents. Hazardous Decomposition Products: Nitrogen oxides, carbon monoxide, carbon dioxide, acrid smoke and fumes. Hazardous Polymerization: Has not been reported Section 11 - TOXICOLOGICAL INFORMATION RTECS#: CAS# 13078-04-1 unlisted. LD50/LC50: Not available. Carcinogenicity: 2-Pyridin-3-ylpiperidine - 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 Shipping Name: ALKALOIDS, LIQUID, N.O.S.* Hazard Class: 6.1 UN Number: 3140 Packing Group: II IMO Shipping Name: ALKALOIDS, LIQUID, N.O.S. Hazard Class: 6.1 UN Number: 3140 Packing Group: II RID/ADR Shipping Name: ALKALOIDS, LIQUID, N.O.S. Hazard Class: 6.1 UN Number: 3140 Packing group: II Section 15 - REGULATORY INFORMATION European/International Regulations European Labeling in Accordance with EC Directives Hazard Symbols: T Risk Phrases: R 23/24/25 Toxic by inhalation, in contact with skin and if swallowed. Safety Phrases: S 28A After contact with skin, wash immediately with plenty of water. S 36/37/39 Wear suitable protective clothing, gloves and eye/face protection. 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# 13078-04-1: No information available. Canada None of the chemicals in this product are listed on the DSL/NDSL list. CAS# 13078-04-1 is not listed on Canada's Ingredient Disclosure List. US FEDERAL TSCA CAS# 13078-04-1 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: 对水体是极其有害的，即使小量产品也不能接触地下水，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

• 符号: GHS06
• 信号词: Danger
• 危害声明: H300-H315-H319-H335
• 警示性声明: P261-P264-P301 + P310-P305 + P351 + P338
• 个人防护装备: Eyeshields;Faceshields;full-face respirator (US);Gloves;multi-purpose combination respirator cartridge (US);type ABEK (EN14387) respirator filter
• 危害码 (欧洲): T:Toxic;
• 风险声明 (欧洲): R23/24/25
• 安全声明 (欧洲): S28-S36/37/39-S45
• 危险品运输编码: UN 3140 6.1/PG 2
• WGK德国: 3
• RTECS号: BV4375000
• 包装等级: I
• 危险类别: 6.1
• 海关编码: 2933990090

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海关

海关编码	2933990090
中文概述	2933990090. 其他仅含氮杂原子的杂环化合物. 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	2933990090. heterocyclic compounds with nitrogen hetero-atom(s) only. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%