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146-36-1

146-36-1结构式

常用中文名：6-allyl-6,7-dihydro-5H-dibenz[c,e]azepine
常用英文名：6-allyl-6,7-dihydro-5H-dibenz[c,e]azepine
CAS号：146-36-1
分子式：C₁₇H₁₇N
分子量：235.32400
发布时间：2017-05-07 15:22:07
更新时间：2024-01-02 16:05:53

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英文名	6-prop-2-enyl-5,7-dihydrobenzo[d][2]benzazepine
英文别名	6-allyl-6,7-dihydro-5H-dibenzo[c,e]azepine 6-allyl-6,7-dihydro-5H-dibenz[c,e]azepine Ilidar Base Azapetine (BAN) EINECS 205-667-3 Azapetine Azapetina [Italian] 6-Allyl-6,7-dihydro-5H-dibenz<c,e>azepin 5H-DIBENZ(c,e)AZEPINE,6-ALLYL-6,7-DIHYDRO

密度	1.05g/cm3
沸点	364.5ºC at 760mmHg
分子式	C₁₇H₁₇N
分子量	235.32400
闪点	157.1ºC
精确质量	235.13600
PSA	3.24000
LogP	3.79310
蒸汽压	1.67E-05mmHg at 25°C
折射率	1.59
储存条件	通风低温干燥处; 与库房食品原料分开存放。
分子结构	1、摩尔折射率：75.65 2、摩尔体积（cm³/mol）：224.0 3、等张比容（90.2K）：560.1 4、表面张力（dyne/cm）：39.0 5、极化率（10-24cm3）：29.99
计算化学	1.疏水参数计算参考值（XlogP）:3.6 2.氢键供体数量:0 3.氢键受体数量:1 4.可旋转化学键数量:2 5.互变异构体数量:无 6.拓扑分子极性表面积3.2 7.重原子数量:18 8.表面电荷:0 9.复杂度:261 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

毒理学数据:

口服-小鼠 LD50: 460 毫克/公斤; 腹腔-小鼠 LD50: 210 毫克/公斤。

CHEMICAL IDENTIFICATION

RTECS NUMBER :: HN7200000

CHEMICAL NAME :: 5H-Dibenz(c,e)azepine, 6-allyl-6,7-dihydro-

CAS REGISTRY NUMBER :: 146-36-1

BEILSTEIN REFERENCE NO. :: 0194617

LAST UPDATED :: 199612

DATA ITEMS CITED :: 7

MOLECULAR FORMULA :: C17-H17-N

MOLECULAR WEIGHT :: 235.35

WISWESSER LINE NOTATION :: T B676 IN JHJ I2U1

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 460 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: 98,702,1959

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Intraperitoneal

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 210 mg/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

REFERENCE :: CLDND* Compilation of LD50 Values of New Drugs. (J.R. MacDougal, Dept. of National Health and Welfare, Food and Drug Divisions, 35 John St., Ottawa, Ont., Canada)

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Subcutaneous

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 725 mg/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

REFERENCE :: CLDND* Compilation of LD50 Values of New Drugs. (J.R. MacDougal, Dept. of National Health and Welfare, Food and Drug Divisions, 35 John St., Ottawa, Ont., Canada)

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Intravenous

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 27 mg/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

REFERENCE :: CLDND* Compilation of LD50 Values of New Drugs. (J.R. MacDougal, Dept. of National Health and Welfare, Food and Drug Divisions, 35 John St., Ottawa, Ont., Canada)

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Intramuscular

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 600 mg/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

REFERENCE :: CLDND* Compilation of LD50 Values of New Drugs. (J.R. MacDougal, Dept. of National Health and Welfare, Food and Drug Divisions, 35 John St., Ottawa, Ont., Canada)

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Intravenous

SPECIES OBSERVED :: Mammal - dog

DOSE/DURATION :: 50 mg/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

REFERENCE :: CLDND* Compilation of LD50 Values of New Drugs. (J.R. MacDougal, Dept. of National Health and Welfare, Food and Drug Divisions, 35 John St., Ottawa, Ont., Canada)

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Intravenous

SPECIES OBSERVED :: Rodent - rabbit

DOSE/DURATION :: 26 mg/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

REFERENCE :: CLDND* Compilation of LD50 Values of New Drugs. (J.R. MacDougal, Dept. of National Health and Welfare, Food and Drug Divisions, 35 John St., Ottawa, Ont., Canada)

海关编码	2933990090

38274-14-5结构式

38274-14-5

107-11-9结构式

107-11-9

~%

146-36-1结构式

146-36-1

文献：Hoffmann-La Roche Patent: US2619484 , 1950 ; Full Text Show Details Wenner Journal of Organic Chemistry, 1951 , vol. 16, p. 1475,1479

上游产品 2
38274-14-5 107-11-9
下游产品 1
63918-56-9

海关编码	2933990090
中文概述	2933990090. 其他仅含氮杂原子的杂环化合物. 增值税率:17.0%. 退税率:13.0%. 监管条件:无. 最惠国关税:6.5%. 普通关税:20.0%
申报要素	品名, 成分含量, 用途, 乌洛托品请注明外观, 6－己内酰胺请注明外观, 签约日期
Summary	2933990090. heterocyclic compounds with nitrogen hetero-atom(s) only. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%