1H-Imidazole,4,5-dihydro-2-(1,2,3,4-tetrahydro-1-naphthalenyl)-
- 中文别名：四氢唑啉; 四氢萘咪唑; 4,5-二氢-2-(1,2,3,4-四氢-1-萘基)-1H-咪唑
- 中文释义：四氢唑林;四氢唑啉;4,5-二氢-2-(1,2,3,4-四氢-1-萘基)-1H-咪唑
- 英文别名：tetryzoline;
Tetryzoline;
2-(1,2,3,4-tetrahydronaphthalen-1-yl)-4,5-dihydro-1H-imidazole;
tetrahydrozoline;
Tyzanol;
Tetryzolin;
2-tetralin-1-yl-4,5-dihydro-1H-imidazole;
Tetrahydrozolinum
- CAS No.：84-22-0
- 分子式：
C13H16N2
- 分子量：200.28
- 精确分子量：200.13100
- PSA：24.39000
- InChI：InChI=1/C13H16N2/c1-2-6-11-10(4-1)5-3-7-12(11)13-14-8-9-15-13/h1-2,4,6,12H,3,5,7-9H2,(H,14,15)
- 分子结构式：
物化性质
- 密度：
- 1.2 g/cm3
- 沸点：
- 393.5ºC at 760 mmHg
- 闪点：
- 191.8ºC
- 折射率：
- 1.656
安全信息
- 密度：
- 1.2 g/cm3
- 沸点：
- 393.5ºC at 760 mmHg
- 闪点：
- 191.8ºC
- 折射率：
- 1.656
毒理性
CHEMICAL IDENTIFICATION
- RTECS NUMBER :
- NJ4525000
- CHEMICAL NAME :
- 2-Imidazoline, 2-(1,2,3,4-tetrahydro-1-naphthyl)-
- CAS REGISTRY NUMBER :
- 84-22-0
- BEILSTEIN REFERENCE NO. :
- 0011442
- LAST UPDATED :
- 199612
- DATA ITEMS CITED :
- 8
- MOLECULAR FORMULA :
- C13-H16-N2
- MOLECULAR WEIGHT :
- 200.31
- WISWESSER LINE NOTATION :
- L66&TJ G- BT5M CN BUTJ
HEALTH HAZARD DATA
ACUTE TOXICITY DATA
- TYPE OF TEST :
- TDLo - Lowest published toxic dose
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Human - child
- DOSE/DURATION :
- 186 nL/kg
- TOXIC EFFECTS :
- Behavioral - somnolence (general depressed activity)
- REFERENCE :
- AJEMEN American Journal of Emergency Medicine. (WB Saunders, Philadelphia, PA) V.1- 1983- Volume(issue)/page/year: 2,217,1984
- TYPE OF TEST :
- TDLo - Lowest published toxic dose
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Human - child
- DOSE/DURATION :
- 150 ug/kg
- TOXIC EFFECTS :
- Behavioral - somnolence (general depressed activity) Behavioral - hallucinations, distorted perceptions Behavioral - irritability
- REFERENCE :
- AEMED3 Annals of Emergency Medicine. (American College of Emergency Physicians, 1125 Executive Circle, Irving, TX 75038) Volume(issue)/page/year: 20,655,1991
- TYPE OF TEST :
- TCLo - Lowest published toxic concentration
- ROUTE OF EXPOSURE :
- Inhalation
- SPECIES OBSERVED :
- Human - infant
- DOSE/DURATION :
- 60 mg/kg
- TOXIC EFFECTS :
- Sense Organs and Special Senses (Eye) - miosis (pupillary constriction) Behavioral - coma Lungs, Thorax, or Respiration - respiratory depression
- REFERENCE :
- 34ZIAG "Toxicology of Drugs and Chemicals," Deichmann, W.B., New York, Academic Press, Inc., 1969 Volume(issue)/page/year: -,580,1969
- TYPE OF TEST :
- TDLo - Lowest published toxic dose
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Human - child
- DOSE/DURATION :
- 375 nL/kg
- TOXIC EFFECTS :
- Behavioral - wakefulness Behavioral - somnolence (general depressed activity)
- REFERENCE :
- AJEMEN American Journal of Emergency Medicine. (WB Saunders, Philadelphia, PA) V.1- 1983- Volume(issue)/page/year: 2,217,1984
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 335 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: 12,971,1962
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Intraperitoneal
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 116 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: 12,971,1962
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Subcutaneous
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 252 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: 12,971,1962
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Intravenous
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 48100 ug/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- NIIRDN Drugs in Japan (Ethical Drugs). (Yakugyo Jiho Co., Ltd., Tokyo, Japan) Volume(issue)/page/year: -,699,1990
分子结构与计算化学数据
分子结构数据
1、 摩尔折射率：60.91
2、 摩尔体积（cm3/mol）：165.7
3、 等张比容（90.2K）：431.4
4、 表面张力（dyne/cm）：45.9
5、 极化率（10-24cm3）：24.14
计算化学数据
1.疏水参数计算参考值（XlogP）:1.8
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:1
5.互变异构体数量:无
6.拓扑分子极性表面积24.4
7.重原子数量:15
8.表面电荷:0
9.复杂度:259
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
