146-36-1

• 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

名称

• 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

物化性质

• 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

毒性和生态

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)

安全

• 海关编码: 2933990090

合成路线

38274-14-5 107-11-9 ~% 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

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海关

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%