二烯烟碱

密度：

1.04g/cm3

沸点：

282.8ºC at 760mmHg

闪点：

124.8ºC

折射率：

1.581

蒸汽压：

0.00561mmHg at 25°C

CHEMICAL IDENTIFICATION

RTECS NUMBER :

UT6130000

CHEMICAL NAME :

Pyridine, 3-(1-methyl-2-pyrrolyl)-

CAS REGISTRY NUMBER :

487-19-4

BEILSTEIN REFERENCE NO. :

0121347

LAST UPDATED :

199612

DATA ITEMS CITED :

3

MOLECULAR FORMULA :

C10-H10-N2

MOLECULAR WEIGHT :

158.22

WISWESSER LINE NOTATION :

T6NJ C- BT5NJ A1

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :

LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :

Intravenous

SPECIES OBSERVED :

Rodent - rat

DOSE/DURATION :

750 mg/kg

TOXIC EFFECTS :

Behavioral - muscle weakness Lungs, Thorax, or Respiration - respiratory depression

REFERENCE :

USXXAM United States Patent Document. (U.S. Patent Office, Box 9, Washington, DC 20231) Volume(issue)/page/year: #4065561

TYPE OF TEST :

LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :

Oral

SPECIES OBSERVED :

Rodent - mouse

DOSE/DURATION :

575 mg/kg

TOXIC EFFECTS :

Behavioral - altered sleep time (including change in righting reflex) Behavioral - somnolence (general depressed activity) Behavioral - muscle weakness

REFERENCE :

USXXAM United States Patent Document. (U.S. Patent Office, Box 9, Washington, DC 20231) Volume(issue)/page/year: #4065561

TYPE OF TEST :

LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :

Intraperitoneal

SPECIES OBSERVED :

Rodent - mouse

DOSE/DURATION :

191 mg/kg

TOXIC EFFECTS :

Details of toxic effects not reported other than lethal dose value

REFERENCE :

TXAPA9 Toxicology and Applied Pharmacology. (Academic Press, Inc., 1 E. First St., Duluth, MN 55802) V.1- 1959- Volume(issue)/page/year: 65,366,1982

计算化学数据

1.疏水参数计算参考值（XlogP）:1.3

2.氢键供体数量:0

3.氢键受体数量:1

4.可旋转化学键数量:1

5.互变异构体数量:无

6.拓扑分子极性表面积:17.8

7.重原子数量:12

8.表面电荷:0

9.复杂度:147

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