553-69-5

• 常用中文名：非尼拉朵
• 常用英文名：Benzenemethanol, a-[(2-pyridinylamino)methyl]-
• CAS号：553-69-5
• 分子式：C₁₃H₁₄N₂O
• 分子量：214.26300
• 发布时间：2018-04-17 08:00:00
• 更新时间：2024-01-06 17:00:49

名称

• 中文名: 非尼拉朵
• 英文名: phenyramidol
• 中文别名: 非尼啶醇
• 英文别名: Miodar; Vilexin; 1-phenyl-2-pyridin-2-ylamino-ethanol; Analexin; Cabral; Evasprine; MJ 505; IN 511; Abbolexin; Bonapar; Evasprin

物化性质

• 密度: 1.206g/cm3
• 沸点: 383.2ºC at 760mmHg
• 分子式: C₁₃H₁₄N₂O
• 分子量: 214.26300
• 闪点: 185.5ºC
• 精确质量: 214.11100
• PSA: 45.15000
• LogP: 2.30010
• 折射率: 1.647
• 计算化学:

  1.疏水参数计算参考值（XlogP）:2

  2.氢键供体数量:2

  3.氢键受体数量:3

  4.可旋转化学键数量:4

  5.互变异构体数量:2

  6.拓扑分子极性表面积:45.2

  7.重原子数量:16

  8.表面电荷:0

  9.复杂度:192

  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:1

  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 : DP1050000 CHEMICAL NAME : Benzyl alcohol, alpha-((2-pyridylamino)methyl)- CAS REGISTRY NUMBER : 553-69-5 BEILSTEIN REFERENCE NO. : 0169969 LAST UPDATED : 199706 DATA ITEMS CITED : 5 MOLECULAR FORMULA : C13-H14-N2-O MOLECULAR WEIGHT : 214.29 WISWESSER LINE NOTATION : T6NJ BM1YQR HEALTH HAZARD DATA ACUTE TOXICITY DATA TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Oral SPECIES OBSERVED : Rodent - rat DOSE/DURATION : 756 mg/kg TOXIC EFFECTS : Behavioral - somnolence (general depressed activity) Behavioral - antipsychotic Lungs, Thorax, or Respiration - other changes REFERENCE : AIPTAK Archives Internationales de Pharmacodynamie et de Therapie. (Heymans Institute of Pharmacology, De Pintelaan 185, B-9000 Ghent, Belgium) V.4- 1898- Volume(issue)/page/year: 130,280,1961 TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Oral SPECIES OBSERVED : Rodent - mouse DOSE/DURATION : 1850 mg/kg TOXIC EFFECTS : Details of toxic effects not reported other than lethal dose value REFERENCE : BCFAAI Bollettino Chimico Farmaceutico. (Societa Editoriale Farmaceutica, Via Ausonio 12, 20123 Milan, Italy) V.33- 1894- Volume(issue)/page/year: 103,245,1964 TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Intraperitoneal SPECIES OBSERVED : Rodent - mouse DOSE/DURATION : 355 mg/kg TOXIC EFFECTS : Behavioral - somnolence (general depressed activity) Behavioral - antipsychotic Lungs, Thorax, or Respiration - other changes REFERENCE : AIPTAK Archives Internationales de Pharmacodynamie et de Therapie. (Heymans Institute of Pharmacology, De Pintelaan 185, B-9000 Ghent, Belgium) V.4- 1898- Volume(issue)/page/year: 141,83,1963 TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Subcutaneous SPECIES OBSERVED : Rodent - mouse DOSE/DURATION : 405 mg/kg TOXIC EFFECTS : Behavioral - anticonvulsant REFERENCE : APTOA6 Acta Pharmacologica et Toxicologica. (Copenhagen, Denmark) V.1-59, 1945-86. For publisher information, see PHTOEH Volume(issue)/page/year: 19,247,1962 TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Intravenous SPECIES OBSERVED : Rodent - mouse DOSE/DURATION : 124 mg/kg TOXIC EFFECTS : Lungs, Thorax, or Respiration - other changes REFERENCE : AIPTAK Archives Internationales de Pharmacodynamie et de Therapie. (Heymans Institute of Pharmacology, De Pintelaan 185, B-9000 Ghent, Belgium) V.4- 1898- Volume(issue)/page/year: 141,83,1963

合成路线

96-09-3 40825-17-0 ~% 553-69-5

文献：Gray et al. Journal of the American Chemical Society, 1959 , vol. 81, p. 4351,4352

504-29-0 ~% 553-69-5

文献：Alcaide, Benito; Perez-Ossorio, Rafael; Plumet, Joaquin; Sierra, Miguel A. Tetrahedron Letters, 1986 , vol. 27, # 14 p. 1627 - 1630

1075-06-5 ~% 553-69-5

文献：Alcaide, Benito; Perez-Ossorio, Rafael; Plumet, Joaquin; Sierra, Miguel A. Tetrahedron Letters, 1986 , vol. 27, # 14 p. 1627 - 1630

91954-81-3 ~% 553-69-5

文献：Reynaud et al. Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences, 1958 , vol. 247, p. 2159

3418-21-1 ~% 553-69-5

文献：Reynaud et al. Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences, 1958 , vol. 247, p. 2159

97376-52-8 ~% 553-69-5

文献：Reynaud et al. Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences, 1958 , vol. 247, p. 2159

109-04-6 7568-93-6 ~% 553-69-5

文献：Chmielewski, Marcin K.; Tykarska, Ewa; Markiewicz, Wojciech T.; Rypniewski, Wojciech New Journal of Chemistry, 2012 , vol. 36, # 3 p. 603 - 612

上下游产品

上游产品  6
96-09-3 504-29-0 1075-06-5 3418-21-1
109-04-6 7568-93-6
下游产品  1
91954-76-6