66-83-1

• 常用中文名：5-甲氧基色胺盐酸盐
• 常用英文名：2-(5-Methoxy-1H-indol-3-yl)ethanamine hydrochloride
• CAS号：66-83-1
• 分子式：C₁₁H₁₅ClN₂O
• 分子量：226.703
• 相关类别： 有机原料 有机金属盐
• 发布时间：2018-02-17 08:00:00
• 更新时间：2024-01-02 17:27:13

• 用于生化研究及有机合成。

名称

• 中文名: 5-甲氧基色胺盐酸盐
• 英文名: 5-Methoxy Tryptamine HCl
• 中文别名: 3-(2-氨乙基)-5-甲氧盐酸; 5-甲氧色胺盐酸盐
• 英文别名: MFCD00005662; 1H-Indole-3-ethanamine, 5-methoxy-, hydrochloride (1:1); 5-Methoxytryptamine hydrochloride; EINECS 210-153-7; 2-(5-Methoxy-1H-indol-3-yl)ethanamine hydrochloride (1:1); 2-(5-Methoxy-1H-indol-3-yl)ethanaminium chloride; 5-methoxy-1h-indole-3-ethylamine hydrochloride

物化性质

• 密度: 1.171 g/cm3
• 沸点: 380ºC at 760 mmHg
• 熔点: 246 °C
• 分子式: C₁₁H₁₅ClN₂O
• 分子量: 226.703
• 闪点: 183.6ºC
• 精确质量: 226.087296
• PSA: 51.04000
• LogP: 3.18000
• 外观性状: 白色至米色结晶粉末
• 储存条件:

  本品应密封避光保存。

• 稳定性: Hygroscopic
• 分子结构:

  1、 摩尔折射率：58.29

  2、 摩尔体积（m³/mol）：162.3

  3、 等张比容（90.2K）：433.0

  4、 表面张力（dyne/cm）：50.5

  5、 极化率（10 ^-24cm ³）：23.10

• 计算化学:

  1、 氢键供体数量：3

  2、 氢键受体数量：2

  3、 可旋转化学键数量：3

  4、 拓扑分子极性表面积（TPSA）：51

  5、 重原子数量：15

  6、 表面电荷：0

  7、 复杂度：186

  8、 同位素原子数量：0

  9、 确定原子立构中心数量：0

  10、 不确定原子立构中心数量：0

  11、 确定化学键立构中心数量：0

  12、 不确定化学键立构中心数量：0

  13、 共价键单元数量：2

• 更多:

  1. 性状：白色结晶。对光敏感。

  2. 密度（g/mL,25/4℃）：不确定

  3. 相对蒸汽密度（g/mL,空气=1）：不确定

  4. 熔点（ºC）：248分解

  5. 沸点（ºC,常压）：不确定

  6. 沸点（ºC, 5.2kPa）：不确定

  7. 折射率：不确定

  8. 闪点（ºC）：不确定

  9. 比旋光度（º）：不确定

  10. 自燃点或引燃温度（ºC）：不确定

  11. 蒸气压（kPa,25ºC）：不确定

  12. 饱和蒸气压（kPa,60ºC）：不确定

  13. 燃烧热（KJ/mol）：不确定

  14. 临界温度（ºC）：不确定

  15. 临界压力（KPa）：不确定

  16. 油水（辛醇/水）分配系数的对数值：不确定

  17. 爆炸上限（%,V/V）：不确定

  18. 爆炸下限（%,V/V）：不确定

  19. 溶解性：易溶于水，溶于乙醇，微溶于乙醚。

MSDS

Name: 5-Methoxytryptamine hydrochloride 97% Material Safety Data Sheet Synonym: Indole, 3-(2-aminoethyl)-5-methoxy-, hydrochloride; 1,6-Hexanediamine, N,N'-bis(o-chlorobenzyl)-, dihydrochloride; 1H-Indole-3-ethanamine, 5-methoxy-, monohydrochloride; 3-(2-Aminoethyl)-5-methoxyindole hydrochloride; 5-Methoxy-1H-indole-3 CAS: 66-83-1 Section 1 - Chemical Product MSDS Name:5-Methoxytryptamine hydrochloride 97% Material Safety Data Sheet Synonym:Indole, 3-(2-aminoethyl)-5-methoxy-, hydrochloride; 1,6-Hexanediamine, N,N'-bis(o-chlorobenzyl)-, dihydrochloride; 1H-Indole-3-ethanamine, 5-methoxy-, monohydrochloride; 3-(2-Aminoethyl)-5-methoxyindole hydrochloride; 5-Methoxy-1H-indole-3 Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS CAS# Chemical Name content EINECS# 66-83-1 5-Methoxytryptamine hydrochloride 97 200-637-6 Hazard Symbols: XN Risk Phrases: 22 Section 3 - HAZARDS IDENTIFICATION EMERGENCY OVERVIEW Harmful if swallowed.The toxicological properties of this material have not been fully investigated. Potential Health Effects Eye: Causes eye irritation. Skin: Causes skin irritation. Ingestion: May cause gastrointestinal irritation with nausea, vomiting and diarrhea. Inhalation: Causes respiratory tract irritation. Chronic: Effects may be delayed. 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. 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. Ingestion: Never give anything by mouth to an unconscious person. Get medical aid. Do NOT induce vomiting. If conscious and alert, rinse mouth and drink 2-4 cupfuls of milk or water. Inhalation: 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: Treat symptomatically and supportively. 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 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: Sweep up, then place into a suitable container for disposal. Avoid generating dusty conditions. Provide ventilation. Section 7 - HANDLING and STORAGE Handling: Wash thoroughly after handling. Remove contaminated clothing and wash before reuse. Minimize dust generation and accumulation. Avoid contact with eyes, skin, and clothing. Avoid ingestion and inhalation. Use with adequate ventilation. Storage: 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: Facilities storing or utilizing this material should be equipped with an eyewash facility and a safety shower. Use adequate ventilation to keep airborne concentrations low. Exposure Limits CAS# 66-83-1: Personal Protective Equipment Eyes: 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 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. Section 9 - PHYSICAL AND CHEMICAL PROPERTIES Physical State: Powder Color: slightly beige Odor: None reported. pH: Not available. Vapor Pressure: Not available. Viscosity: Not available. Boiling Point: Not available. Freezing/Melting Point: 246.00 - 248.00 deg C Autoignition Temperature: Not applicable. Flash Point: Not applicable. Explosion Limits, lower: Not available. Explosion Limits, upper: Not available. Decomposition Temperature: Not available. Solubility in water: Not available. Specific Gravity/Density: Not available. Molecular Formula: C11H14N2O.HCl Molecular Weight: 226.71 Section 10 - STABILITY AND REACTIVITY Chemical Stability: Stable at room temperature in closed containers under normal storage and handling conditions. Conditions to Avoid: Incompatible materials, excess heat, strong oxidants. Incompatibilities with Other Materials: No information found.. Hazardous Decomposition Products: Hydrogen chloride, nitrogen oxides, carbon monoxide, irritating and toxic fumes and gases, carbon dioxide, nitrogen. Hazardous Polymerization: Has not been reported. Section 11 - TOXICOLOGICAL INFORMATION RTECS#: CAS# 66-83-1: NL4110000 LD50/LC50: CAS# 66-83-1: Oral, mouse: LD50 = 580 mg/kg. Carcinogenicity: 5-Methoxytryptamine hydrochloride - Not listed by ACGIH, IARC, or NTP. Other: See actual entry in RTECS for complete information. 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: XN Risk Phrases: R 22 Harmful if swallowed. Safety Phrases: WGK (Water Danger/Protection) CAS# 66-83-1: No information available. Canada None of the chemicals in this product are listed on the DSL/NDSL list. CAS# 66-83-1 is not listed on Canada's Ingredient Disclosure List. US FEDERAL TSCA CAS# 66-83-1 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

毒理学数据: 急性毒性：大鼠静脉LDLo：6 mg/kg；小鼠口经LD50：580 mg/kg；小鼠腹腔LD50：227 mg/kg；小鼠皮下注射LD50：620 mg/kg； 小鼠静脉LD50：103 mg/kg；猫静脉LDLo：2500 ug/kg；兔子静脉LDLo：75 mg/kg； CHEMICAL IDENTIFICATION RTECS NUMBER : NL4110000 CHEMICAL NAME : Indole, 3-(2-aminoethyl)-5-methoxy-, hydrochloride CAS REGISTRY NUMBER : 66-83-1 LAST UPDATED : 199512 DATA ITEMS CITED : 7 MOLECULAR FORMULA : C11-H14-N2-O.Cl-H MOLECULAR WEIGHT : 226.73 WISWESSER LINE NOTATION : T56 BMJ D2Z GO1 &GH HEALTH HAZARD DATA ACUTE TOXICITY DATA TYPE OF TEST : LDLo - Lowest published lethal dose ROUTE OF EXPOSURE : Intravenous SPECIES OBSERVED : Rodent - rat DOSE/DURATION : 6 mg/kg TOXIC EFFECTS : Details of toxic effects not reported other than lethal dose value REFERENCE : RPTOAN Russian Pharmacology and Toxicology (English Translation). Translation of FATOAO. (Euromed Pub., 33, Woodlands Rd., Surbiton, Surrey, UK) V.30- 1967- Volume(issue)/page/year: 33,246,1970 TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Oral SPECIES OBSERVED : Rodent - mouse DOSE/DURATION : 580 mg/kg TOXIC EFFECTS : Behavioral - somnolence (general depressed activity) Behavioral - ataxia Gastrointestinal - hypermotility, diarrhea REFERENCE : FEPRA7 Federation Proceedings, Federation of American Societies for Experimental Biology. (Bethesda, MD) V.1-46, 1942-87. Volume(issue)/page/year: 23,T125,1964 TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Intraperitoneal SPECIES OBSERVED : Rodent - mouse DOSE/DURATION : 227 mg/kg TOXIC EFFECTS : Details of toxic effects not reported other than lethal dose value REFERENCE : YKKZAJ Yakugaku Zasshi. Journal of Pharmacy. (Nippon Yakugakkai, 2-12-15 Shibuya, Shibuya-ku, Tokyo 150, Japan) No.1- 1881- Volume(issue)/page/year: 94,1620,1974 TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Subcutaneous SPECIES OBSERVED : Rodent - mouse DOSE/DURATION : 620 mg/kg TOXIC EFFECTS : Details of toxic effects not reported other than lethal dose value REFERENCE : RPTOAN Russian Pharmacology and Toxicology (English Translation). Translation of FATOAO. (Euromed Pub., 33, Woodlands Rd., Surbiton, Surrey, UK) V.30- 1967- Volume(issue)/page/year: 35,2,1972 TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Intravenous SPECIES OBSERVED : Rodent - mouse DOSE/DURATION : 103 mg/kg TOXIC EFFECTS : Behavioral - tremor Behavioral - convulsions or effect on seizure threshold REFERENCE : FEPRA7 Federation Proceedings, Federation of American Societies for Experimental Biology. (Bethesda, MD) V.1-46, 1942-87. Volume(issue)/page/year: 23,T125,1964 TYPE OF TEST : LDLo - Lowest published lethal dose ROUTE OF EXPOSURE : Intravenous SPECIES OBSERVED : Mammal - cat DOSE/DURATION : 2500 ug/kg TOXIC EFFECTS : Cardiac - other changes Lungs, Thorax, or Respiration - other changes REFERENCE : FATOAO Farmakologiya i Toksikologiya (Moscow). For English translation, see PHTXA6 and RPTOAN. (V/O Mezhdunarodnaya Kniga, 113095 Moscow, USSR) V.2- 1939- Volume(issue)/page/year: 26,10,1963 TYPE OF TEST : LDLo - Lowest published lethal dose ROUTE OF EXPOSURE : Intravenous SPECIES OBSERVED : Rodent - rabbit DOSE/DURATION : 75 mg/kg TOXIC EFFECTS : Lungs, Thorax, or Respiration - other changes REFERENCE : FATOAO Farmakologiya i Toksikologiya (Moscow). For English translation, see PHTXA6 and RPTOAN. (V/O Mezhdunarodnaya Kniga, 113095 Moscow, USSR) V.2- 1939- Volume(issue)/page/year: 26,10,1963

安全

• 符号: GHS07
• 信号词: Warning
• 危害声明: H302
• 个人防护装备: dust mask type N95 (US);Eyeshields;Gloves
• 危害码 (欧洲): Xn:Harmful;
• 风险声明 (欧洲): R22
• 安全声明 (欧洲): S36
• 危险品运输编码: NONH for all modes of transport
• WGK德国: 3
• RTECS号: NL4059000
• 海关编码: 2933990090

合成路线

52648-13-2 ~71% 66-83-1

文献：Guengoer, Timur; Malabre, Patrice; Teulon, Jean-Marie; Camborde, Francoise; Meignen, Joelle; et al. Journal of Medicinal Chemistry, 1994 , vol. 37, # 25 p. 4307 - 4316

17952-87-3 ~% 66-83-1

文献：Journal of Medicinal Chemistry, , vol. 37, # 25 p. 4307 - 4316

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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%