CHEMICAL IDENTIFICATION

RTECS NUMBER :

TL1200000

CHEMICAL NAME :

1-Piperazinecarboxamide, N,N-diethyl-4-methyl-

CAS REGISTRY NUMBER :

90-89-1

BEILSTEIN REFERENCE NO. :

0143029

LAST UPDATED :

199701

DATA ITEMS CITED :

8

MOLECULAR FORMULA :

C10-H21-N3-O

MOLECULAR WEIGHT :

199.34

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :

TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :

Oral

SPECIES OBSERVED :

Human - woman

DOSE/DURATION :

7300 mg/kg/1Y-I

TOXIC EFFECTS :

Skin and Appendages - dermatitis, allergic (after systemic exposure)

TYPE OF TEST :

LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :

Intraperitoneal

SPECIES OBSERVED :

Rodent - mouse

DOSE/DURATION :

240 mg/kg

TOXIC EFFECTS :

Details of toxic effects not reported other than lethal dose value

TYPE OF TEST :

TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :

Oral

DOSE :

630 mg/kg

SEX/DURATION :

female 7-11 day(s) after conception

TOXIC EFFECTS :

Reproductive - Effects on Embryo or Fetus - fetal death

TYPE OF TEST :

Micronucleus test

MUTATION DATA

TEST SYSTEM :

Rodent - mouse

DOSE/DURATION :

40 mg/kg

REFERENCE :

TOLED5 Toxicology Letters. (Elsevier Science Pub. B.V., POB 211, 1000 AE Amsterdam, Netherlands) V.1- 1977- Volume(issue)/page/year: 44,7,1988 *** NIOSH STANDARDS DEVELOPMENT AND SURVEILLANCE DATA *** NIOSH OCCUPATIONAL EXPOSURE SURVEY DATA : NOES - National Occupational Exposure Survey (1983) NOES Hazard Code - X2728 No. of Facilities: 316 (estimated) No. of Industries: 1 No. of Occupations: 3 No. of Employees: 3161 (estimated) No. of Female Employees: 1581 (estimated)

计算化学数据

1.疏水参数计算参考值（XlogP）:0.3

2.氢键供体数量:0

3.氢键受体数量:2

4.可旋转化学键数量:2

5.互变异构体数量:无

6.拓扑分子极性表面积:26.8

7.重原子数量:14

8.表面电荷:0

9.复杂度:184

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