己巴比妥
- 中文名称:
- 己巴比妥
- 中文别名:
- 己巴比妥
- 英文名称:
- Hexethal
- 英文别名:
- 5-ethyl-5-hexyl-1,3-diazinane-2,4,6-trione;
5-Aethyl-5-hexyl-barbitursaeure;
5-Ethyl-5-hexyl-2,4,6(1H,3H,5H)-pyrimidinetrione;
5-Ethyl-5-hexylbarbituric acid;
Hexethal (VAN);
5-ethyl-5-hexyl-pyrimidine-2,4,6-trione;
Aethyl-hexyl-barbitursaeure;
Ortol (VAN);
5-Ethyl-5-n-hexyl-barbitursaeure;
HEXETHAL;
Barbituric acid,5-ethyl-5-hexyl;
Ortal;
2,4,6(1H,3H,5H)-Pyrimidinetrione,5-ethyl-5-hexyl;
Acide hexylethylbarbiturique [French]
- CAS No.:
- 77-30-5
- 分 子 式:
-
C12H20N2O3
- 分 子 量:
- 0
- 精确分子量:
- 240.14700
- PSA:
- 75.27000
- InChI:
- The Key: PSTVHRSUNBSVIJ-UHFFFAOYSA-N3
- SDS:
- 查看
己巴比妥 毒理性
CHEMICAL IDENTIFICATION
- RTECS NUMBER :
- CQ4880000
- CHEMICAL NAME :
- Barbituric acid, 5-ethyl-5-hexyl-
- CAS REGISTRY NUMBER :
- 77-30-5
- LAST UPDATED :
- 199206
- DATA ITEMS CITED :
- 2
- MOLECULAR FORMULA :
- C12-H20-N2-O3
- MOLECULAR WEIGHT :
- 240.34
- WISWESSER LINE NOTATION :
- T6VMVMV FHJ F6 F2
HEALTH HAZARD DATA
ACUTE TOXICITY DATA
- TYPE OF TEST :
- LDLo - Lowest published lethal dose
- ROUTE OF EXPOSURE :
- Intraperitoneal
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 270 mg/kg
- TOXIC EFFECTS :
- Behavioral - sleep
Behavioral - ataxia
Lungs, Thorax, or Respiration - respiratory depression
- 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: 55,152,1935
- TYPE OF TEST :
- LDLo - Lowest published lethal dose
- ROUTE OF EXPOSURE :
- Subcutaneous
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 600 mg/kg
- TOXIC EFFECTS :
- Behavioral - general anesthetic
Behavioral - muscle weakness
Lungs, Thorax, or Respiration - respiratory depression
- REFERENCE :
- CRSBAW Comptes Rendus des Seances de la Societe de Biologie et de Ses
Filiales. (SPPIF, B.P.22, F-41353 Vineuil, France) V.1- 1849-
Volume(issue)/page/year: 99,1852,1928
己巴比妥 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:3
4.可旋转化学键数量:6
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:17
8.表面电荷:0
9.复杂度:306
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
推荐供应商
湖北帝伯化工有限公司
秋水仙碱
- 联系人:雷
- 电 话:15872383390
- 手 机:15872383390
- Cas号:77-30-5
- 包装:1
- 纯度:99
- 价格:1.0元