曲吡那敏

  • 基本信息
  • 物化性质
  • 毒理性
  • 结构与计算化学
  • 上游产品

曲吡那敏 基本信息

中文名称:
曲吡那敏 
中文别名:
曲吡那敏 
英文名称:
1,2-Ethanediamine,N1,N1-dimethyl-N2-(phenylmethyl)-N2-2-pyridinyl-
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
EINECS:
202-100-1
InChI:
The Key: UFLGIAIHIAPJJC-UHFFFAOYSA-N
分子结构式:
SDS:
查看

曲吡那敏 物化性质

外观与性状:
油性液体
沸点:
185 - 190ºC at 1.7 mm Hg

曲吡那敏 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)

曲吡那敏 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

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