阿齐美克

  • 基本信息
  • 物化性质
  • 毒理性
  • 结构与计算化学

阿齐美克 基本信息

中文名称:
阿齐美克 
中文别名:
阿齐美克 
英文名称:
2-Aziridinecarboxamide,1-[1-(2-cyano-1-aziridinyl)-1-methylethyl]-
英文别名:
1-[2-(2-cyanoaziridin-1-yl)propan-2-yl]aziridine-2-carboxamide;
2-(2-Cyan-aziridin-1-yl)-2-(2-carbamoyl-aziridin-1-yl)-propan;
Azimexon;
azimexone;
Azimexonum [INN-Latin];
Azimexona [Spanish];
Azimexone [Polish];
Azimexona [INN-Spanish];
2-(2-Cyan-aziridinyl-1)-2-(2-carbamoyl-aziridinyl-1)-propan;
1-[1-(2-cyano-aziridin-1-yl)-1-methyl-ethyl]-aziridine-2-carboxylic acid amide;
EINECS 264-679-7;
2-(2-carbamoyl-aziridino)-2-(2-cyano-aziridino)-cyclohexane 
CAS No.:
64118-86-1
分 子 式:
C9H14N4O
分 子 量:
0
精确分子量:
194.11700
PSA:
72.90000
EINECS:
264-679-7
InChI:
The Key: RPZOFMHRRHHDPZ-UHFFFAOYSA-N
分子结构式:
SDS:
查看

阿齐美克 物化性质

密度:
1.29g/cm3
沸点:
403.4ºC at 760 mmHg
闪点:
197.8ºC
折射率:
1.598

阿齐美克 毒理性

CHEMICAL IDENTIFICATION

RTECS NUMBER :
CM6754000
CHEMICAL NAME :
2-Aziridinecarboxamide, 1-(1-(2-cyano-1-aziridinyl)-1-methylethyl)-
CAS REGISTRY NUMBER :
64118-86-1
BEILSTEIN REFERENCE NO. :
0476876
LAST UPDATED :
199709
DATA ITEMS CITED :
4
MOLECULAR FORMULA :
C9-H14-N4-O
MOLECULAR WEIGHT :
194.27
WISWESSER LINE NOTATION :
T3NTJ BVZ AX1&1&- AT3NTJ BCN

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 :
3100 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
USXXAM United States Patent Document. (U.S. Patent Office, Box 9, Washington, DC 20231) Volume(issue)/page/year: #4370323
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
2550 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
USXXAM United States Patent Document. (U.S. Patent Office, Box 9, Washington, DC 20231) Volume(issue)/page/year: #4370323
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intravenous
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
1400 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
DRFUD4 Drugs of the Future. (J.R. Prous, S.A., Apartado de Correos 540, 08080 Barcelona, Spain) V.1- 1975/76- Volume(issue)/page/year: 5,174,1980
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
560 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
AITEAT Archivum Immunologiae et Therapiae Experimentalis. (Ars Polona, POB 1001, 00-068 Warsaw 1, Poland) V.10- 1962- Volume(issue)/page/year: 34,333,1986

阿齐美克 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):-0.6

2.氢键供体数量:1

3.氢键受体数量:4

4.可旋转化学键数量:3

5.互变异构体数量:3

6.拓扑分子极性表面积:72.9

7.重原子数量:14

8.表面电荷:0

9.复杂度:329

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:2

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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