1,2-Ethanediamine,N1,N1-dimethyl-N2-2-pyridinyl-N2-(3-thienylmethyl)-
- 中文别名：西尼二胺
- 中文释义：西尼二胺
- 英文别名：N,N-dimethyl-N'-pyridin-2-yl-N'-(thiophen-3-ylmethyl)ethane-1,2-diamine;
Tenildiamina [INN-Spanish];
Tenfidil;
Thenyldiaminum [INN-Latin];
Thefanil;
Thenyldiamine;
Thenyldiamine (pharmaceutical);
N,N-dimethyl-N'-[2]pyridyl-N'-[3]thienylmethyl-ethylenediamine;
Thenfadil;
Dethylandiamine;
Thenyldiamin;
N,N-Dimethyl-N'-[2]pyridyl-N'-[3]thienylmethyl-aethylendiamin
- CAS No.：91-79-2
- 分子式：
C14H19N3S
- 分子量：261.39
- 精确分子量：261.13000
- PSA：47.61000
- InChI：The Key: RCGYDFVCAAKKNG-UHFFFAOYSA-N
- 分子结构式：
物化性质
- 沸点：
- 169-172ºC at 1.0 MM HG
安全信息
- 沸点：
- 169-172ºC at 1.0 MM HG
毒理性
CHEMICAL IDENTIFICATION
- RTECS NUMBER :
- UT1575000
- CHEMICAL NAME :
- Pyridine, 2-((2-(dimethylamino)ethyl)-3-thenylamino)-
- CAS REGISTRY NUMBER :
- 91-79-2
- BEILSTEIN REFERENCE NO. :
- 0221267
- LAST UPDATED :
- 199612
- DATA ITEMS CITED :
- 3
- MOLECULAR FORMULA :
- C14-H19-N3-S
- MOLECULAR WEIGHT :
- 261.42
- WISWESSER LINE NOTATION :
- T6NJ BN2N1&1&1- CT5SJ
HEALTH HAZARD DATA
ACUTE TOXICITY DATA
- TYPE OF TEST :
- TDLo - Lowest published toxic dose
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Human
- DOSE/DURATION :
- 50 mg/kg
- TOXIC EFFECTS :
- Behavioral - hallucinations, distorted perceptions Gastrointestinal - other changes
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Intraperitoneal
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 77 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)
MUTATION DATA
- TYPE OF TEST :
- DNA adduct
- TEST SYSTEM :
- Bacteria - Escherichia coli
- DOSE/DURATION :
- 30 umol/L
- REFERENCE :
- MUREAV Mutation Research. (Elsevier Science Pub. B.V., POB 211, 1000 AE Amsterdam, Netherlands) V.1- 1964- Volume(issue)/page/year: 89,95,1981
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:0
3.氢键受体数量:4
4.可旋转化学键数量:6
5.互变异构体数量:无
6.拓扑分子极性表面积:47.6
7.重原子数量:18
8.表面电荷:0
9.复杂度:235
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
