61-49-4

• 常用中文名：N-ω-甲基色胺
• 常用英文名：Nω-methyltryptamine
• CAS号：61-49-4
• 分子式：C₁₁H₁₄N₂
• 分子量：174.242
• 相关类别： 医药中间体 杂环化合物 嘧啶类化合物 甲基嘧啶
• 发布时间：2018-08-22 08:19:13
• 更新时间：2024-01-02 17:11:39

名称

• 中文名: N(omega)-甲基色胺
• 英文名: N-methyltryptamine
• 中文别名: 3-(2-甲基氨基乙基)吲哚; N-OMEGA-甲基色胺; N-Ω-甲基色胺
• 英文别名: N(ω)-methyltryptamine; Nw-Methyltryptamine; N-Methyltryptamine; 2-(1H-indol-3-yl)-N-methylethan-1-amine; 1H-Indole-3-ethanamine, N-methyl-; N-ω-Methyltryptamine; N-ω-Methyltryptamine(NMT); 1-methyl-1H-indole-3-ethylamine; (2-indol-3-ylethyl)methylamine; 2-(1H-Indol-3-yl)-N-methylethanamine; MFCD00005657; 3-(2-Methylaminoethyl)indole; EINECS 200-507-9

物化性质

• 密度: 1.1±0.1 g/cm3
• 沸点: 336.2±17.0 °C at 760 mmHg
• 熔点: 87-89 °C(lit.)
• 分子式: C₁₁H₁₄N₂
• 分子量: 174.242
• 闪点: 157.1±20.9 °C
• 精确质量: 174.115692
• PSA: 27.82000
• LogP: 1.52
• 外观性状: 白色至灰白色有光泽的结晶粉末或片
• 蒸汽压: 0.0±0.7 mmHg at 25°C
• 折射率: 1.621
• 储存条件: -20°C
• 分子结构:

  五、分子性质数据：

  1、 摩尔折射率：56.30

  2、 摩尔体积（m³/mol）：160.0

  3、 等张比容（90.2K）：415.0

  4、 表面张力（dyne/cm）：45.2

  5、 极化率（10 ^-24cm ³）：22.32

• 计算化学:

  1.疏水参数计算参考值（XlogP）:无

  2.氢键供体数量:2

  3.氢键受体数量:1

  4.可旋转化学键数量:3

  5.互变异构体数量:无

  6.拓扑分子极性表面积27.8

  7.重原子数量:13

  8.表面电荷:0

  9.复杂度:158

  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:1

MSDS

Name: n-Omega-methyltryptamine 99% Material Safety Data Sheet Synonym: 3-(2-Methylaminoethyl)indole; 1H-Indole-3-ethanamine, N-methyl-; 3-(2-(Methylamino)ethyl)indole; Indole, 3-(2-(methylamino)ethyl)-; Methyltryptamine; N-Methyltryptamine; N-Monomethyltryptamin CAS: 61-49-4 Section 1 - Chemical Product MSDS Name:n-Omega-methyltryptamine 99% Material Safety Data Sheet Synonym:3-(2-Methylaminoethyl)indole; 1H-Indole-3-ethanamine, N-methyl-; 3-(2-(Methylamino)ethyl)indole; Indole, 3-(2-(methylamino)ethyl)-; Methyltryptamine; N-Methyltryptamine; N-Monomethyltryptamin Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS CAS# Chemical Name content EINECS# 61-49-4 N-omega-Methyltryptamine 99 200-507-9 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. Skin: May cause skin irritation. 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. 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: 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. Use with adequate ventilation. Minimize dust generation and accumulation. Avoid contact with eyes, skin, and clothing. Avoid ingestion and inhalation. 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# 61-49-4: 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: white Odor: None reported. pH: Not available. Vapor Pressure: Not available. Viscosity: Not available. Boiling Point: Not available. Freezing/Melting Point: 87.00 - 89.00 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: C11H14N2 Molecular Weight: 174.24 Section 10 - STABILITY AND REACTIVITY Chemical Stability: Stable under normal temperatures and pressures. Conditions to Avoid: Incompatible materials, strong oxidants. Incompatibilities with Other Materials: Oxidizing agents. Hazardous Decomposition Products: Nitrogen oxides, carbon monoxide, irritating and toxic fumes and gases, carbon dioxide, nitrogen. Hazardous Polymerization: Will not occur. Section 11 - TOXICOLOGICAL INFORMATION RTECS#: CAS# 61-49-4: NM0450000 LD50/LC50: Not available. Carcinogenicity: N-omega-Methyltryptamine - 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: Not available. Risk Phrases: Safety Phrases: S 24/25 Avoid contact with skin and eyes. WGK (Water Danger/Protection) CAS# 61-49-4: No information available. Canada None of the chemicals in this product are listed on the DSL/NDSL list. CAS# 61-49-4 is not listed on Canada's Ingredient Disclosure List. US FEDERAL TSCA CAS# 61-49-4 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: 1、急性毒性：小鼠腹腔LD50：158mg/kg CHEMICAL IDENTIFICATION RTECS NUMBER : NM0450000 CHEMICAL NAME : Indole, 3-(2-(methylamino)ethyl)- CAS REGISTRY NUMBER : 61-49-4 BEILSTEIN REFERENCE NO. : 0134134 LAST UPDATED : 199612 DATA ITEMS CITED : 1 MOLECULAR FORMULA : C11-H14-N2 MOLECULAR WEIGHT : 174.27 HEALTH HAZARD DATA ACUTE TOXICITY DATA TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Intraperitoneal SPECIES OBSERVED : Rodent - mouse DOSE/DURATION : 158 mg/kg TOXIC EFFECTS : Behavioral - excitement REFERENCE : JTEHD6 Journal of Toxicology and Environmental Health. (Hemisphere Pub., 1025 Vermont Ave., NW, Washington, DC 20005) V.1- 1975/76- Volume(issue)/page/year: 1,515,1976

安全

• 安全声明 (欧洲): S24/25
• WGK德国: 3
• RTECS号: NM0450000
• 海关编码: 2933990090

合成路线

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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%