86-80-6

• 常用中文名：奎尼卡因
• 常用英文名：Ethanamine,2-[(3-butyl-1-isoquinolinyl)oxy]-N,N-dimethyl-
• CAS号：86-80-6
• 分子式：C₁₇H₂₄N₂O
• 分子量：272.38500
• 发布时间：2018-07-14 20:02:03
• 更新时间：2024-01-08 18:26:29

名称

• 中文名: 奎尼卡因
• 英文名: 2-(3-butylisoquinolin-1-yl)oxy-N,N-dimethylethanamine
• 英文别名: Quinisocaine; Isochinol; Histaderme; 2-[(3-butyl-1-isoquinolinyl)oxy]-N,N-dimethyl-ethanamine; 3-Butyl-1-(2-dimethylamino-aethoxy)-isochinolin; Quinoleine; dimethisoquin; Pruralgan; [2-(3-butyl-isoquinolin-1-yloxy)-ethyl]-dimethyl-amine; Prulantex; Pruralgin; Quinisocain; Chinisocain; 3-butyl-1-(2-dimethylamino-ethoxy)-isoquinoline

物化性质

• 密度: 1.034g/cm3
• 沸点: 388.3ºC at 760 mmHg
• 分子式: C₁₇H₂₄N₂O
• 分子量: 272.38500
• 闪点: 188.6ºC
• 精确质量: 272.18900
• PSA: 25.36000
• LogP: 3.51780
• 折射率: 1.561
• 计算化学:

  1.疏水参数计算参考值（XlogP）:4.2

  2.氢键供体数量:0

  3.氢键受体数量:3

  4.可旋转化学键数量:7

  5.互变异构体数量:3

  6.拓扑分子极性表面积:25.4

  7.重原子数量:20

  8.表面电荷:0

  9.复杂度:270

  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 : NW6930000 CHEMICAL NAME : Isoquinoline, 3-butyl-1-(2-(dimethylamino)ethoxy)- CAS REGISTRY NUMBER : 86-80-6 BEILSTEIN REFERENCE NO. : 0018179 LAST UPDATED : 199612 DATA ITEMS CITED : 2 MOLECULAR FORMULA : C17-H24-N2-O MOLECULAR WEIGHT : 272.43 WISWESSER LINE NOTATION : T66 CNJ BO2N1&1 D4 HEALTH HAZARD DATA ACUTE TOXICITY DATA TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Intravenous SPECIES OBSERVED : Rodent - mouse DOSE/DURATION : 8 mg/kg TOXIC EFFECTS : Details of toxic effects not reported other than lethal dose value REFERENCE : ARZNAD Arzneimittel-Forschung. Drug Research. (Editio Cantor Verlag, Postfach 1255, W-7960 Aulendorf, Fed. Rep. Ger.) V.1- 1951- Volume(issue)/page/year: 18,729,1968 *** NIOSH STANDARDS DEVELOPMENT AND SURVEILLANCE DATA *** NIOSH OCCUPATIONAL EXPOSURE SURVEY DATA : NOHS - National Occupational Hazard Survey (1974) NOHS Hazard Code - M1049 No. of Facilities: 28 (estimated) No. of Industries: 1 No. of Occupations: 3 No. of Employees: 8736 (estimated)

合成路线

37616-36-7 87-06-9 ~% 86-80-6

文献：Wilson et al. Journal of the American Chemical Society, 1949 , vol. 71, p. 937

132-90-1 ~% 86-80-6

文献：Wilson et al. Journal of the American Chemical Society, 1949 , vol. 71, p. 937

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