22120-39-4

• 常用中文名：5-甲基-N,N-二甲基色胺
• 常用英文名：5-methyl-n,n-dimethyltryptamine
• CAS号：22120-39-4
• 分子式：C₁₃H₁₈N₂
• 分子量：202.29500
• 相关类别： 分析化学 标准品 法医和兽医标准品
• 发布时间：2018-02-20 08:00:00
• 更新时间：2024-01-05 16:08:56
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名称

• 中文名: 5-甲基-N,N-二甲基色胺
• 英文名: N,N-dimethyl-2-(5-methyl-1H-indol-3-yl)ethanamine
• 中文别名: 1H-吲哚-3-乙胺,N,N,5-三甲基
• 英文别名: INDOLE,3-(2-(DIMETHYLAMINO)ETHYL)-5-METHYL; N,N-Dimethyl-5-methyltryptamine; 1H-Indole-3-ethanamine,N,N,5-trimethyl; 5,N,N-Trimethyl-tryptamin; dimethyl-[2-(5-methyl-indol-3-yl)-ethyl]-amine; N,N-Dimethyl-5-methyl-1H-indole-3-ethanamine; 5-METHYL-N,N-DIMETHYLTRYPTAMINE; 3-(2-Dimethylaminoethyl)-5-methylindole

物化性质

• 密度: 1.057g/cm3
• 沸点: 348.2ºC at 760mmHg
• 分子式: C₁₃H₁₈N₂
• 分子量: 202.29500
• 闪点: 164.4ºC
• 精确质量: 202.14700
• PSA: 19.03000
• LogP: 2.58040
• 蒸汽压: 5.11E-05mmHg at 25°C
• 折射率: 1.605
• 储存条件: 2-8°C
• 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:3

  5.互变异构体数量:无

  6.拓扑分子极性表面积:19

  7.重原子数量:15

  8.表面电荷:0

  9.复杂度:203

  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

毒性和生态

CHEMICAL IDENTIFICATION RTECS NUMBER : NL7420000 CHEMICAL NAME : Indole, 3-(2-(dimethylamino)ethyl)-5-methyl- CAS REGISTRY NUMBER : 22120-39-4 BEILSTEIN REFERENCE NO. : 0474715 LAST UPDATED : 199612 DATA ITEMS CITED : 2 MOLECULAR FORMULA : C13-H18-N2 MOLECULAR WEIGHT : 202.33 WISWESSER LINE NOTATION : T56 BMJ D2N1&1 G1 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 : 110 mg/kg TOXIC EFFECTS : Details of toxic effects not reported other than lethal dose value REFERENCE : PSYPAG Psychopharmacologia (Berlin). (Berlin, Ger.) V.1-46, 1959-76. For publisher information, see PSCHDL. Volume(issue)/page/year: 16,385,1970 TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Intravenous SPECIES OBSERVED : Rodent - mouse DOSE/DURATION : 71 mg/kg TOXIC EFFECTS : Details of toxic effects not reported other than lethal dose value REFERENCE : CSLNX* U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. (Aberdeen Proving Ground, MD 21010) Volume(issue)/page/year: NX#01632

安全

• 符号: GHS07
• 信号词: Warning
• 危害声明: H332
• 个人防护装备: dust mask type N95 (US);Eyeshields;Gloves
• 危害码 (欧洲): Xn
• 风险声明 (欧洲): 20
• 安全声明 (欧洲): 22-36
• 危险品运输编码: NONH for all modes of transport
• RTECS号: NL7420000
• 海关编码: 2933990090

合成路线

19718-92-4 637-60-5 ~91% 22120-39-4

文献：Chen; Senanayake; Bill; Larsen; Verhoeven; Reider Journal of Organic Chemistry, 1994 , vol. 59, # 13 p. 3738 - 3741

1821-47-2 74-88-4 ~% 22120-39-4

文献：Wu, Tom Y. H.; Schulte, Peter G. Organic Letters, 2002 , vol. 4, # 23 p. 4033 - 4035

50-00-0 1821-47-2 ~% 22120-39-4

文献：Nirogi, Ramakrishna V.S.; Kambhampati, Ramasastri; Kothmirkar, Prabhakar; Konda, Jagadishbabu; Bandyala, Thrinath Reddy; Gudla, Parandhama; Arepalli, Sobhanadri; Gangadasari, Narasimhareddy P.; Shinde, Anil K.; Deshpande, Amol D.; Dwarampudi, Adireddy; Chindhe, Anil K.; Dubey, Pramod Kumar Journal of Enzyme Inhibition and Medicinal Chemistry, 2012 , vol. 27, # 3 p. 443 - 450

上下游产品

上游产品  5
19718-92-4 637-60-5 1821-47-2 74-88-4
50-00-0
下游产品  0

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%