非尼拉朵
- 中文名称：
- 非尼拉朵
- 中文别名：
- 非尼拉朵;
非尼啶醇
- 英文名称：
- phenyramidol
- 英文别名：
- PHENYRAMIDOL;
Miodar;
Vilexin;
1-phenyl-2-pyridin-2-ylamino-ethanol;
Analexin;
Cabral;
Evasprine;
MJ 505;
IN 511;
Abbolexin;
Bonapar;
Evasprin
- CAS No.：
- 553-69-5
- 分 子 式：
-
C13H14N2O
- 分 子 量：
- 214.26
- 精确分子量：
- 214.11100
- PSA：
- 45.15000
- EINECS：
- 209-044-7
- InChI：
- The Key: ZEAJXCPGHPJVNP-UHFFFAOYSA-N3
- 危险品标志：
-
- 风险术语：
-
- 安全术语：
-
- 分子结构式：
-
- SDS：
- 查看
非尼拉朵 物化性质
- 密度：
- 1.206g/cm3
- 沸点：
- 383.2ºC at 760mmHg
- 闪点：
- 185.5ºC
- 折射率：
- 1.647
非尼拉朵 毒理性
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
非尼拉朵 分子结构与计算化学数据
计算化学数据
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
