100-92-5

• 常用中文名：美芬丁胺
• 常用英文名：Mephentermine
• CAS号：100-92-5
• 分子式：C₁₁H₁₇N
• 分子量：163.25900
• 相关类别： 原料药 循环系统用药 抗休克血管活性药
• 发布时间：2018-09-09 23:14:01
• 更新时间：2024-01-07 12:18:59

名称

• 中文名: 美芬丁胺
• 英文名: N,2-dimethyl-1-phenylpropan-2-amine
• 中文别名: N,2-二甲基-1-苯基丙-2-胺; 恢压敏
• 英文别名: Wyfentermina; Mephine; (1,1-dimethyl-2-phenyl-ethyl)-methyl-amine; Mefentermin; Mephenterdrine; Wyamine; Mephenterdrinum; Mephentermine; Mefenterdrin; N-Methyl-N-(1,1-dimethyl-phenaethyl)-amin; Vialin; 2-Methylamino-2-methyl-1-phenyl-propan; (1,1-Dimethyl-2-phenyl-aethyl)-methyl-amin; Mephetedrine; EINECS 202-901-6

物化性质

• 密度: 0.903g/cm3
• 沸点: 229.4ºC at 760mmHg
• 分子式: C₁₁H₁₇N
• 分子量: 163.25900
• 闪点: 90ºC
• 精确质量: 163.13600
• PSA: 12.03000
• LogP: 2.61800
• 蒸汽压: 0.0697mmHg at 25°C
• 折射率: 1.501
• 分子结构:

  1、 摩尔折射率：53.26

  2、 摩尔体积（cm³/mol）：180.6

  3、 等张比容（90.2K）：426.2

  4、 表面张力（dyne/cm）：31.0

  5、 极化率（10-24cm3）：21.11

• 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12

  7.重原子数量:12

  8.表面电荷:0

  9.复杂度:123

  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 : SI3675000 CHEMICAL NAME : Phenethylamine, N,alpha,alpha-trimethyl- CAS REGISTRY NUMBER : 100-92-5 BEILSTEIN REFERENCE NO. : 1363850 LAST UPDATED : 199612 DATA ITEMS CITED : 5 MOLECULAR FORMULA : C11-H17-N MOLECULAR WEIGHT : 163.29 WISWESSER LINE NOTATION : 1MX1&1&1R HEALTH HAZARD DATA ACUTE TOXICITY DATA TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Intraperitoneal SPECIES OBSERVED : Rodent - rat DOSE/DURATION : 85 mg/kg TOXIC EFFECTS : Sense Organs and Special Senses (Eye) - mydriasis (pupillary dilation) Behavioral - tremor Behavioral - excitement REFERENCE : ZPPLBF Zentralblatt fuer Pharmazie, Pharmakotherapie und Laboratoriums-diagnostik. (VEB Verlag Volk und Gesundheit, Neue Gruenstr. 18, 102 Berlin, Ger. Dem. Rep.) V.109- 1970- Volume(issue)/page/year: 111,169,1972 TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Intravenous SPECIES OBSERVED : Rodent - rat DOSE/DURATION : 13 mg/kg TOXIC EFFECTS : Sense Organs and Special Senses (Eye) - mydriasis (pupillary dilation) Behavioral - tremor Behavioral - excitement REFERENCE : ZPPLBF Zentralblatt fuer Pharmazie, Pharmakotherapie und Laboratoriums-diagnostik. (VEB Verlag Volk und Gesundheit, Neue Gruenstr. 18, 102 Berlin, Ger. Dem. Rep.) V.109- 1970- Volume(issue)/page/year: 111,169,1972 TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Oral SPECIES OBSERVED : Rodent - mouse DOSE/DURATION : 57 mg/kg TOXIC EFFECTS : Sense Organs and Special Senses (Eye) - mydriasis (pupillary dilation) Behavioral - tremor Behavioral - excitement REFERENCE : ZPPLBF Zentralblatt fuer Pharmazie, Pharmakotherapie und Laboratoriums-diagnostik. (VEB Verlag Volk und Gesundheit, Neue Gruenstr. 18, 102 Berlin, Ger. Dem. Rep.) V.109- 1970- Volume(issue)/page/year: 111,169,1972 TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Intraperitoneal SPECIES OBSERVED : Rodent - mouse DOSE/DURATION : 89 mg/kg TOXIC EFFECTS : Sense Organs and Special Senses (Eye) - mydriasis (pupillary dilation) Behavioral - tremor Behavioral - excitement REFERENCE : ZPPLBF Zentralblatt fuer Pharmazie, Pharmakotherapie und Laboratoriums-diagnostik. (VEB Verlag Volk und Gesundheit, Neue Gruenstr. 18, 102 Berlin, Ger. Dem. Rep.) V.109- 1970- Volume(issue)/page/year: 111,169,1972 TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Intravenous SPECIES OBSERVED : Rodent - mouse DOSE/DURATION : 43 mg/kg TOXIC EFFECTS : Sense Organs and Special Senses (Eye) - mydriasis (pupillary dilation) Behavioral - tremor Behavioral - excitement REFERENCE : ZPPLBF Zentralblatt fuer Pharmazie, Pharmakotherapie und Laboratoriums-diagnostik. (VEB Verlag Volk und Gesundheit, Neue Gruenstr. 18, 102 Berlin, Ger. Dem. Rep.) V.109- 1970- Volume(issue)/page/year: 111,169,1972

安全

• 海关编码: 2921499090

合成路线

34405-42-0 ~% 100-92-5

文献：Journal of the American Chemical Society, , vol. 70, p. 955

122-09-8 ~% 100-92-5

文献：Journal of the American Chemical Society, , vol. 70, p. 955

61765-66-0 74-88-4 ~% 100-92-5

文献：Journal of the American Chemical Society, , vol. 70, p. 955

10079-55-7 ~% 100-92-5

文献：US2597445 , ;

6921-34-2 ~% 100-92-5

文献：US2700681 , ;

100-86-7 143-33-9 ~% 100-92-5

文献：Journal of pharmaceutical sciences, , vol. 55, # 1 p. 38 - 43

上下游产品

上游产品  7
34405-42-0 122-09-8 61765-66-0 74-88-4
6921-34-2 100-86-7 143-33-9
下游产品  3
126-27-2 5368-87-6 58670-93-2

海关

海关编码	2921499090
中文概述	2921499090 其他芳香单胺及衍生物及它们的盐. 增值税率:17.0% 退税率:9.0% 监管条件:无 最惠国关税:6.5% 普通关税:30.0%
申报要素	品名, 成分含量, 用途
Summary	2921499090 other aromatic monoamines and their derivatives; salts thereof VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:6.5% General tariff:30.0%