56-29-1

• 常用中文名：环已巴比妥
• 常用英文名：2,4,6(1H,3H,5H)-Pyrimidinetrione,5-(1-cyclohexen-1-yl)-1,5-dimethyl-
• CAS号：56-29-1
• 分子式：C₁₂H₁₆N₂O₃
• 分子量：236.26700
• 相关类别： 天然产物 酚类
• 发布时间：2018-06-30 16:43:25
• 更新时间：2024-01-08 09:46:29

名称

• 中文名: 环已巴比妥
• 英文名: hexobarbital
• 中文别名: 伊維潘
• 英文别名: Methexenyl; Barbidorm; Methylhexabital; Evipal; Enhexymal; Hexobarbitone; rac-Hexobarbital; Hexobarbital; Citopan; 5-(cyclohexen-1-yl)-1,5-dimethyl-1,3-diazinane-2,4,6-trione; Cyclopan; 5-cyclohexenyl-N-methyl-5-methyl-barbituric acid; Evipan

物化性质

• 密度: 1.225 g/cm3
• 沸点: 368.8ºC at 760 mmHg
• 熔点: 145-147°
• 分子式: C₁₂H₁₆N₂O₃
• 分子量: 236.26700
• 闪点: 176.8ºC
• 精确质量: 236.11600
• PSA: 66.48000
• LogP: 1.46800
• 折射率: 1.5460 (estimate)
• 储存条件: 2-8°C
• 计算化学:

  1.疏水参数计算参考值（XlogP）:无

  2.氢键供体数量:1

  3.氢键受体数量:3

  4.可旋转化学键数量:1

  5.互变异构体数量:3

  6.拓扑分子极性表面积:66.5

  7.重原子数量:17

  8.表面电荷:0

  9.复杂度:428

  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

毒性和生态

CHEMICAL IDENTIFICATION RTECS NUMBER : CQ2625000 CHEMICAL NAME : Barbituric acid, 5-(1-cyclohexen-1-yl)-1,5-dimethyl- CAS REGISTRY NUMBER : 56-29-1 LAST UPDATED : 199409 DATA ITEMS CITED : 16 MOLECULAR FORMULA : C12-H16-N2-O3 MOLECULAR WEIGHT : 236.30 WISWESSER LINE NOTATION : T6VMVNV FHJ D1 F1 F- AL6UTJ HEALTH HAZARD DATA ACUTE TOXICITY DATA TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Intraperitoneal SPECIES OBSERVED : Rodent - rat DOSE/DURATION : 330 mg/kg TOXIC EFFECTS : Details of toxic effects not reported other than lethal dose value TYPE OF TEST : LDLo - Lowest published lethal dose ROUTE OF EXPOSURE : Subcutaneous SPECIES OBSERVED : Rodent - rat DOSE/DURATION : 400 mg/kg TOXIC EFFECTS : Details of toxic effects not reported other than lethal dose value TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Oral SPECIES OBSERVED : Rodent - mouse DOSE/DURATION : 468 mg/kg TOXIC EFFECTS : Details of toxic effects not reported other than lethal dose value TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Intraperitoneal SPECIES OBSERVED : Rodent - mouse DOSE/DURATION : 270 mg/kg TOXIC EFFECTS : Details of toxic effects not reported other than lethal dose value TYPE OF TEST : LDLo - Lowest published lethal dose ROUTE OF EXPOSURE : Subcutaneous SPECIES OBSERVED : Rodent - mouse DOSE/DURATION : 250 mg/kg TOXIC EFFECTS : Details of toxic effects not reported other than lethal dose value TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Intravenous SPECIES OBSERVED : Rodent - mouse DOSE/DURATION : 133 mg/kg TOXIC EFFECTS : Behavioral - somnolence (general depressed activity) TYPE OF TEST : LDLo - Lowest published lethal dose ROUTE OF EXPOSURE : Intrapleural SPECIES OBSERVED : Rodent - mouse DOSE/DURATION : 340 mg/kg TOXIC EFFECTS : Details of toxic effects not reported other than lethal dose value TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Parenteral SPECIES OBSERVED : Rodent - mouse DOSE/DURATION : 160 mg/kg TOXIC EFFECTS : Details of toxic effects not reported other than lethal dose value TYPE OF TEST : LDLo - Lowest published lethal dose ROUTE OF EXPOSURE : Oral SPECIES OBSERVED : Rodent - rabbit DOSE/DURATION : 1200 mg/kg TOXIC EFFECTS : Details of toxic effects not reported other than lethal dose value TYPE OF TEST : LDLo - Lowest published lethal dose ROUTE OF EXPOSURE : Intravenous SPECIES OBSERVED : Rodent - rabbit DOSE/DURATION : 80 mg/kg TOXIC EFFECTS : Details of toxic effects not reported other than lethal dose value TYPE OF TEST : LDLo - Lowest published lethal dose ROUTE OF EXPOSURE : Rectal SPECIES OBSERVED : Rodent - rabbit DOSE/DURATION : 175 mg/kg TOXIC EFFECTS : Details of toxic effects not reported other than lethal dose value TYPE OF TEST : LDLo - Lowest published lethal dose ROUTE OF EXPOSURE : Intraperitoneal SPECIES OBSERVED : Amphibian - frog DOSE/DURATION : 30 mg/kg TOXIC EFFECTS : Details of toxic effects not reported other than lethal dose value TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Parenteral SPECIES OBSERVED : Amphibian - frog DOSE/DURATION : 148 mg/kg TOXIC EFFECTS : Details of toxic effects not reported other than lethal dose value TYPE OF TEST : TDLo - Lowest published toxic dose ROUTE OF EXPOSURE : Oral SPECIES OBSERVED : Rodent - rat DOSE/DURATION : 1654 mg/kg/7D-I TOXIC EFFECTS : Biochemical - Enzyme inhibition, induction, or change in blood or tissue levels - other hydrolases MUTATION DATA TYPE OF TEST : Cytogenetic analysis TEST SYSTEM : Human Leukocyte DOSE/DURATION : 1500 mg/L REFERENCE : TGANAK Tsitologiya i Genetika. Cytology and Genetics. For English translation, see CYGEDX. (V/O Mezhdunarodnaya Kniga, 113095 Moscow, USSR) V.1- 1967- Volume(issue)/page/year: 18(1),13,1984 *** REVIEWS *** TOXICOLOGY REVIEW PHREA7 Physiological Reviews. (American Physiological Soc., 9650 Rockville Pike, Bethesda, MD 20814) V.1- 1921- Volume(issue)/page/year: 19,472,1939

安全

• 符号: GHS02, GHS06, GHS08
• 信号词: Danger
• 危害声明: H225-H301 + H311 + H331-H370
• 警示性声明: P210-P260-P280-P301 + P310-P311
• 危害码 (欧洲): Xn: Harmful;
• 风险声明 (欧洲): R22
• 安全声明 (欧洲): 36/37/39-45-36/37-16-7
• 危险品运输编码: UN 3249
• WGK德国: 3
• RTECS号: CQ2625000
• 包装等级: III
• 危险类别: 6.1(b)