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- 2-(2,6-二甲基-1,5-庚二烯基)-1,3-二噁戊环-4-甲醇
2-(2,6-二甲基-1,5-庚二烯基)-1,3-二噁戊环-4-甲醇
- 基本信息
- 物化性质
- 安全信息
- 毒理性
- 结构与计算化学
2-(2,6-二甲基-1,5-庚二烯基)-1,3-二噁戊环-4-甲醇 基本信息
- 中文名称：
- 2-(2,6-二甲基-1,5-庚二烯基)-1,3-二噁戊环-4-甲醇
- 中文别名：
- 2-(2,6-二甲基-1,5-庚二烯基)-1,3-二噁戊环-4-甲醇;
3-(4-aminobenzoyl)oxypropyl-dibutylazanium,chloride
- 英文名称：
- 1-Propanol,3-(dibutylamino)-, 1-(4-aminobenzoate), hydrochloride (1:1)
- 英文别名：
- 3-(4-aminobenzoyl)oxypropyl-dibutylazanium,chloride;
Butacaine hydrochloride;
Butacaine chloride;
3-(Dibutylamino)propyl p-aminobenzoate monohydrochloride;
p-Aminobenzoic acid 3-(dibutylamino)propyl ester hydrochloride;
EINECS 227-568-4;
Aminobenzoyldibutylaminopropanol hydrochloride;
1-Propanol,3-(dibutylamino)-,p-aminobenzoate (ester),monohydrochloride;
BENZOIC ACID,p-AMINO-,3-(DIBUTYLAMINO)PROPYL ESTER,HYDROCHLORIDE
- CAS No.：
- 5892-15-9
- 分 子 式：
- C18H30N2O2.ClH
- 分 子 量：
- 342.96
- 精确分子量：
- 342.20700
- PSA：
- 55.56000
- EINECS：
- 227-568-4
- InChI：
- The Key: GUAXDJUZQASKHH-UHFFFAOYSA-N
- 安全术语：
- Poison by subcutaneous, intraperitoneal, and possibly other routes. See also ESTERS and AMINES. When heated to decomposition it emits very toxic fumes of HCl and NOx.
- 分子结构式：
-
- SDS：
- 查看
2-(2,6-二甲基-1,5-庚二烯基)-1,3-二噁戊环-4-甲醇 物化性质
- 沸点：
- 440ºC at 760 mmHg
- 闪点：
- 219.9ºC
- 存储条件/存储方法：
- 库房通风低温干燥
2-(2,6-二甲基-1,5-庚二烯基)-1,3-二噁戊环-4-甲醇 安全信息
2-(2,6-二甲基-1,5-庚二烯基)-1,3-二噁戊环-4-甲醇 毒理性
CHEMICAL IDENTIFICATION
- RTECS NUMBER :
- DG1650000
- CHEMICAL NAME :
- Benzoic acid, p-amino-, 3-(dibutylamino)propyl ester,
hydrochloride
- CAS REGISTRY NUMBER :
- 5892-15-9
- LAST UPDATED :
- 199712
- DATA ITEMS CITED :
- 10
- MOLECULAR FORMULA :
- C18-H30-N2-O2.Cl-H
- MOLECULAR WEIGHT :
- 342.96
- WISWESSER LINE NOTATION :
- ZR DVO3N4&4 &GH
HEALTH HAZARD DATA
ACUTE TOXICITY DATA
- TYPE OF TEST :
- LDLo - Lowest published lethal dose
- ROUTE OF EXPOSURE :
- Intraperitoneal
- SPECIES OBSERVED :
- Rodent - rat
- DOSE/DURATION :
- 200 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- JPETAB Journal of Pharmacology and Experimental Therapeutics. (Williams &
Wilkins Co., 428 E. Preston St., Baltimore, MD 21202) V.1- 1909/10-
Volume(issue)/page/year: 18,467,1922
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Unreported
- SPECIES OBSERVED :
- Rodent - rat
- DOSE/DURATION :
- 75 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: 17,1012,1967
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Subcutaneous
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 100 mg/kg
- TOXIC EFFECTS :
- Behavioral - somnolence (general depressed activity)
Behavioral - convulsions or effect on seizure threshold
Lungs, Thorax, or Respiration - respiratory stimulation
- REFERENCE :
- JPETAB Journal of Pharmacology and Experimental Therapeutics. (Williams &
Wilkins Co., 428 E. Preston St., Baltimore, MD 21202) V.1- 1909/10-
Volume(issue)/page/year: 24,159,1925
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Intravenous
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 21 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- JPETAB Journal of Pharmacology and Experimental Therapeutics. (Williams &
Wilkins Co., 428 E. Preston St., Baltimore, MD 21202) V.1- 1909/10-
Volume(issue)/page/year: 93,388,1948
- TYPE OF TEST :
- LDLo - Lowest published lethal dose
- ROUTE OF EXPOSURE :
- Intraperitoneal
- SPECIES OBSERVED :
- Mammal - cat
- DOSE/DURATION :
- 200 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- JPETAB Journal of Pharmacology and Experimental Therapeutics. (Williams &
Wilkins Co., 428 E. Preston St., Baltimore, MD 21202) V.1- 1909/10-
Volume(issue)/page/year: 18,467,1922
- TYPE OF TEST :
- LDLo - Lowest published lethal dose
- ROUTE OF EXPOSURE :
- Intravenous
- SPECIES OBSERVED :
- Mammal - cat
- DOSE/DURATION :
- 15 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- JPETAB Journal of Pharmacology and Experimental Therapeutics. (Williams &
Wilkins Co., 428 E. Preston St., Baltimore, MD 21202) V.1- 1909/10-
Volume(issue)/page/year: 18,467,1922
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Subcutaneous
- SPECIES OBSERVED :
- Rodent - rabbit
- DOSE/DURATION :
- 34 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- JPETAB Journal of Pharmacology and Experimental Therapeutics. (Williams &
Wilkins Co., 428 E. Preston St., Baltimore, MD 21202) V.1- 1909/10-
Volume(issue)/page/year: 93,388,1948
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Intravenous
- SPECIES OBSERVED :
- Rodent - rabbit
- DOSE/DURATION :
- 11 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- JPETAB Journal of Pharmacology and Experimental Therapeutics. (Williams &
Wilkins Co., 428 E. Preston St., Baltimore, MD 21202) V.1- 1909/10-
Volume(issue)/page/year: 93,388,1948
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Subcutaneous
- SPECIES OBSERVED :
- Rodent - guinea pig
- DOSE/DURATION :
- 44 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- JPETAB Journal of Pharmacology and Experimental Therapeutics. (Williams &
Wilkins Co., 428 E. Preston St., Baltimore, MD 21202) V.1- 1909/10-
Volume(issue)/page/year: 93,388,1948
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Intravenous
- SPECIES OBSERVED :
- Rodent - guinea pig
- DOSE/DURATION :
- 11 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- JPETAB Journal of Pharmacology and Experimental Therapeutics. (Williams &
Wilkins Co., 428 E. Preston St., Baltimore, MD 21202) V.1- 1909/10-
Volume(issue)/page/year: 93,388,1948
2-(2,6-二甲基-1,5-庚二烯基)-1,3-二噁戊环-4-甲醇 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）:无
2.氢键供体数量:2
3.氢键受体数量:4
4.可旋转化学键数量:12
5.互变异构体数量:3
6.拓扑分子极性表面积:56.8
7.重原子数量:23
8.表面电荷:0
9.复杂度:281
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:2
