1-Piperazinecarboxamide,N,N-diethyl-4-methyl-
- 中文别名：乙胺嗪
- 中文释义：乙胺嗪;1-二乙胺基甲酰基-4-甲基哌嗪;海群众
- 英文别名：N,N-DIETHYL-4-METHYL-1-PIPERAZINECARBOXAMIDE;
patonin;
4-methyl-piperazine-1-carboxylic acid diethylamide;
Caracide;
84L;
Caricide;
Notezine;
rp3799;
Cypip;
diethycarbamazine;
Banocide;
4-Methyl-piperazin-1-carbonsaeure-diaethylamid;
Diethylcarbamazine;
Ethodryl
- CAS No.：90-89-1
- 分子式：
C10H21N3O
- 分子量：199.29
- 精确分子量：199.16800
- PSA：26.79000
- InChI：The Key: RCKMWOKWVGPNJF-UHFFFAOYSA-N
- 分子结构式：
物化性质
- 外观与性状：
- 灰白色结晶粉末
- 密度：
- 1.013g/cm3
- 熔点：
- 137 - 140ºC
- 沸点：
- 139ºC
- 闪点：
- 98ºC
- 折射率：
- 1.492
安全信息
- 外观与性状：
- 灰白色结晶粉末
- 密度：
- 1.013g/cm3
- 熔点：
- 137 - 140ºC
- 沸点：
- 139ºC
- 闪点：
- 98ºC
- 折射率：
- 1.492
毒理性
CHEMICAL IDENTIFICATION
- RTECS NUMBER :
- TL1200000
- CHEMICAL NAME :
- 1-Piperazinecarboxamide, N,N-diethyl-4-methyl-
- CAS REGISTRY NUMBER :
- 90-89-1
- BEILSTEIN REFERENCE NO. :
- 0143029
- LAST UPDATED :
- 199701
- DATA ITEMS CITED :
- 8
- MOLECULAR FORMULA :
- C10-H21-N3-O
- MOLECULAR WEIGHT :
- 199.34
HEALTH HAZARD DATA
ACUTE TOXICITY DATA
- TYPE OF TEST :
- TDLo - Lowest published toxic dose
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Human - woman
- DOSE/DURATION :
- 7300 mg/kg/1Y-I
- TOXIC EFFECTS :
- Skin and Appendages - dermatitis, allergic (after systemic exposure)
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Intraperitoneal
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 240 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
- DOSE :
- 630 mg/kg
- SEX/DURATION :
- female 7-11 day(s) after conception
- TOXIC EFFECTS :
- Reproductive - Effects on Embryo or Fetus - fetal death
- TYPE OF TEST :
- Micronucleus test
MUTATION DATA
- TEST SYSTEM :
- Rodent - mouse
- DOSE/DURATION :
- 40 mg/kg
- REFERENCE :
- TOLED5 Toxicology Letters. (Elsevier Science Pub. B.V., POB 211, 1000 AE Amsterdam, Netherlands) V.1- 1977- Volume(issue)/page/year: 44,7,1988 *** NIOSH STANDARDS DEVELOPMENT AND SURVEILLANCE DATA ***NIOSH OCCUPATIONAL EXPOSURE SURVEY DATA : NOES - National Occupational Exposure Survey (1983) NOES Hazard Code - X2728 No. of Facilities: 316 (estimated) No. of Industries: 1 No. of Occupations: 3 No. of Employees: 3161 (estimated) No. of Female Employees: 1581 (estimated)
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）:0.3
2.氢键供体数量:0
3.氢键受体数量:2
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:26.8
7.重原子数量:14
8.表面电荷:0
9.复杂度:184
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
