tert-Butyl 4-?(2-?ethoxy-?2-?oxoethyl)?piperidine-?1-?carboxylate

物化性质

沸点：

255.2ºC at 760mmHg

闪点：

131.8ºC

蒸汽压：

0.0165mmHg at 25°C

存储条件/存储方法：

库房通风低温干燥

安全信息

沸点：

255.2ºC at 760mmHg

闪点：

131.8ºC

蒸汽压：

0.0165mmHg at 25°C

存储条件/存储方法：

库房通风低温干燥

毒理性

CHEMICAL IDENTIFICATION

RTECS NUMBER :

US1821000

CHEMICAL NAME :

Pyridine, 4-amino-, hydrochloride

CAS REGISTRY NUMBER :

1003-40-3

LAST UPDATED :

199106

DATA ITEMS CITED :

7

MOLECULAR FORMULA :

C5-H6-N2.Cl-H

MOLECULAR WEIGHT :

130.59

WISWESSER LINE NOTATION :

T6NJ DZ &GH

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :

LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :

Oral

SPECIES OBSERVED :

Rodent - rat

DOSE/DURATION :

32 mg/kg

TOXIC EFFECTS :

Details of toxic effects not reported other than lethal dose value

REFERENCE :

PCONAI Pest Control. (Harcourt Brace Jovanovich, 1 E. 1st St., Duluth, MN 55802) V.17- 1949- Volume(issue)/page/year: 33,16,1965

TYPE OF TEST :

LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :

Subcutaneous

SPECIES OBSERVED :

Rodent - rat

DOSE/DURATION :

10130 ug/kg

TOXIC EFFECTS :

Details of toxic effects not reported other than lethal dose value

REFERENCE :

EKMMA8 Eksperimentalna Meditsina i Morfologiya. (Hemus, Blvd. Russki 6, Sofia, Bulgaria) V.1- 1962- Volume(issue)/page/year: 18,98,1979

TYPE OF TEST :

LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :

Intravenous

SPECIES OBSERVED :

Rodent - rat

DOSE/DURATION :

6700 ug/kg

TOXIC EFFECTS :

Details of toxic effects not reported other than lethal dose value

REFERENCE :

AEPPAE Naunyn-Schmiedeberg's Archiv fuer Experimentelle Pathologie und Pharmakologie. (Berlin, Ger.) V.110-253, 1925-66. For publisher information, see NSAPCC. Volume(issue)/page/year: 236,149,1959

TYPE OF TEST :

LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :

Subcutaneous

SPECIES OBSERVED :

Rodent - mouse

DOSE/DURATION :

11900 ug/kg

TOXIC EFFECTS :

Details of toxic effects not reported other than lethal dose value

REFERENCE :

EKMMA8 Eksperimentalna Meditsina i Morfologiya. (Hemus, Blvd. Russki 6, Sofia, Bulgaria) V.1- 1962- Volume(issue)/page/year: 18,98,1979

TYPE OF TEST :

LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :

Oral

SPECIES OBSERVED :

Mammal - dog

DOSE/DURATION :

2377 mg/kg

TOXIC EFFECTS :

Details of toxic effects not reported other than lethal dose value

REFERENCE :

JWMAA9 Journal of Wildlife Management. (Wildlife Soc., 5410 Grosvenor Lane, Bethesda, MD 20814) V.1- 1937- Volume(issue)/page/year: 29,830,1965

TYPE OF TEST :

LDLo - Lowest published lethal dose

ROUTE OF EXPOSURE :

Administration onto the skin

SPECIES OBSERVED :

Rodent - rabbit

DOSE/DURATION :

327 mg/kg

TOXIC EFFECTS :

Details of toxic effects not reported other than lethal dose value

REFERENCE :

34ZIAG "Toxicology of Drugs and Chemicals," Deichmann, W.B., New York, Academic Press, Inc., 1969 Volume(issue)/page/year: -,93,1969

TYPE OF TEST :

LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :

Oral

SPECIES OBSERVED :

Mammal - pig

DOSE/DURATION :

3547 mg/kg

TOXIC EFFECTS :

Details of toxic effects not reported other than lethal dose value

REFERENCE :

JWMAA9 Journal of Wildlife Management. (Wildlife Soc., 5410 Grosvenor Lane, Bethesda, MD 20814) V.1- 1937- Volume(issue)/page/year: 29,830,1965

海关数据

中国海关编码：2933399090

概述：

2933399090. 其他结构含非稠合吡啶环的化合物. 增值税率:17.0%. 退税率:13.0%. 监管条件:无. 最惠国关税:6.5%. 普通关税:20.0%

申报要素：

品名, 成分含量, 用途, 乌洛托品请注明外观, 6－己内酰胺请注明外观, 签约日期

摘要/Summary：

2933399090. other compounds containing an unfused pyridine ring (whether or not hydrogenated) in the structure. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

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:2

3.氢键受体数量:2

4.可旋转化学键数量:0

5.互变异构体数量:2

6.拓扑分子极性表面积:38.9

7.重原子数量:8

8.表面电荷:0

9.复杂度:48

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:2