115-43-5

115-43-5结构式
115-43-5结构式
  • 常用中文名:苯烯比妥
  • 常用英文名:5-allyl-5-phenylbarbituric acid
  • CAS号:115-43-5
  • 分子式:C13H12N2O3
  • 分子量:244.24600
  • 发布时间:2018-08-22 18:02:15
  • 更新时间:2024-01-14 23:01:47

化源商城直购

中文名 苯烯比妥
英文名 5-phenyl-5-prop-2-enyl-1,3-diazinane-2,4,6-trione
英文别名 Allophenylum
Alphenal
Phenallymal
Alpheba
Alphasem
Phenallymalum
Prophenal
5-Phenyl-5-allylbarbitursaeure
5-Allyl-5-phenyl-barbitursaeure
5-allyl-5-phenyl-pyrimidine-2,4,6-trione
Alphenate
Fenallymal
5-Allyl-5-phenylbarbituric acid
5-phenyl-5-(2-propenyl)-2,4,6(1H,3H,5H)-pyrimidinetrione
Allofenyl
密度 1.222g/cm3
分子式 C13H12N2O3
分子量 244.24600
精确质量 244.08500
PSA 75.27000
LogP 1.52410
折射率 1.549
储存条件 库房通风低温干燥,与食品原料分开存放
计算化学

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:3

4.可旋转化学键数量:3

5.互变异构体数量:5

6.拓扑分子极性表面积:75.3

7.重原子数量:18

8.表面电荷:0

9.复杂度:377

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

CHEMICAL IDENTIFICATION

RTECS NUMBER :
CQ0460000
CHEMICAL NAME :
Barbituric acid, 5-allyl-5-phenyl-
CAS REGISTRY NUMBER :
115-43-5
BEILSTEIN REFERENCE NO. :
0227510
LAST UPDATED :
199612
DATA ITEMS CITED :
3
MOLECULAR FORMULA :
C13-H12-N2-O3
MOLECULAR WEIGHT :
244.27
WISWESSER LINE NOTATION :
T6VMVMV FHJ F2U1 FR

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 :
233 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
SFTIAE Svensk Farmaceutisk Tidskrift. Swedish Journal of Pharmacy. (POB 1136, Stockholm 111 81, Sweden) V.1- 1897- Volume(issue)/page/year: 56,31,1952
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
280 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
FRPSAX Farmaco, Edizione Scientifica. (Casella Postale 227, 27100 Pavia, Italy) V.8-43 1953-88 For publisher information, see FRMCE8 Volume(issue)/page/year: 17,390,1962
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
265 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
FRPSAX Farmaco, Edizione Scientifica. (Casella Postale 227, 27100 Pavia, Italy) V.8-43 1953-88 For publisher information, see FRMCE8 Volume(issue)/page/year: 17,390,1962

海关编码 2933540000

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115-43-5结构式

115-43-5

文献:Hoffmann-La Roche Patent: DE526854 , 1930 ; Fortschr. Teerfarbenfabr. Verw. Industriezweige, vol. 17, p. 2304

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115-43-5结构式

115-43-5

文献:Toth; Makleit Acta Chimica Academiae Scientiarum Hungaricae, 1981 , vol. 107, # 2 p. 147 - 153

~%

115-43-5结构式

115-43-5

文献:Chandanayingyong J. pharm. Assoc. SiamChem.Abstr., 1948 , vol. 1, # 5 p. 4,14 J. pharm. Assoc. SiamChem.Abstr., 1952 , p. 2502
上游产品  3

下游产品  1

海关编码 2933540000
中文概述 2933540000 其他丙二酰脲(巴比土酸)的衍生物以及它们的盐。监管条件:无。增值税率:17.0%。退税率:9.0%。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 2933540000 other derivatives of malonylurea (barbituric acid); salts thereof。Supervision conditions:None。VAT:17.0%。Tax rebate rate:9.0%。MFN tariff:6.5%。General tariff:20.0%