1,2-Ethanediamine,N1,N1-dimethyl-N2-(phenylmethyl)-N2-2-pyridinyl-
- 中文别名：曲吡那敏
- 中文释义：曲吡那敏
- 英文别名：N'-benzyl-N,N-dimethyl-N'-pyridin-2-ylethane-1,2-diamine;
Piribenzil;
Tonaril;
N-benzyl-N',N'-dimethyl-N-pyridin-2-yl-ethane-1,2-diamine;
Benzoxale;
Tripelennamin;
Pyribenzamine;
Cizaron;
N-benzyl-N',N'-dimethyl-N-[2]pyridyl-ethylenediamine;
Resistamine;
tripelenamin;
Tripelennamina;
tripelennamine;
Pyrinamine base
- CAS No.：91-81-6
- 分子式：
C16H21N3
- 分子量：0
- 精确分子量：255.17400
- PSA：19.37000
- InChI：The Key: UFLGIAIHIAPJJC-UHFFFAOYSA-N
- 分子结构式：
物化性质
- 外观与性状：
- 油性液体
- 沸点：
- 185 - 190ºC at 1.7 mm Hg
安全信息
- 外观与性状：
- 油性液体
- 沸点：
- 185 - 190ºC at 1.7 mm Hg
毒理性
CHEMICAL IDENTIFICATION
- RTECS NUMBER :
- US2800000
- CHEMICAL NAME :
- Pyridine, 2-(benzyl(2-(dimethylamino)ethyl)amino)-
- CAS REGISTRY NUMBER :
- 91-81-6
- BEILSTEIN REFERENCE NO. :
- 0227074
- LAST UPDATED :
- 199612
- DATA ITEMS CITED :
- 9
- MOLECULAR FORMULA :
- C16-H21-N3
- MOLECULAR WEIGHT :
- 255.40
- WISWESSER LINE NOTATION :
- T6NJ BN1R&2N1&1
HEALTH HAZARD DATA
ACUTE TOXICITY DATA
- TYPE OF TEST :
- LDLo - Lowest published lethal dose
- ROUTE OF EXPOSURE :
- Intraperitoneal
- SPECIES OBSERVED :
- Rodent - rat
- DOSE/DURATION :
- 37 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 :
- 152 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 :
- 43 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 :
- 23 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 - guinea pig
- DOSE/DURATION :
- 64 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 :
- Subcutaneous
- SPECIES OBSERVED :
- Mammal - species unspecified
- DOSE/DURATION :
- 61 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
MUTATION DATA
- TYPE OF TEST :
- Unscheduled DNA synthesis
- TEST SYSTEM :
- Human Liver
- DOSE/DURATION :
- 10 umol/L
- REFERENCE :
- MUREAV Mutation Research. (Elsevier Science Pub. B.V., POB 211, 1000 AE Amsterdam, Netherlands) V.1- 1964- Volume(issue)/page/year: 173,229,1986 *** NIOSH STANDARDS DEVELOPMENT AND SURVEILLANCE DATA ***NIOSH OCCUPATIONAL EXPOSURE SURVEY DATA : NOES - National Occupational Exposure Survey (1983) NOES Hazard Code - 74620 No. of Facilities: 26 (estimated) No. of Industries: 1 No. of Occupations: 1 No. of Employees: 1324 (estimated) No. of Female Employees: 667 (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）:无
2.氢键供体数量:0
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:无
6.拓扑分子极性表面积:19.4
7.重原子数量:19
8.表面电荷:0
9.复杂度:236
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
