乙胺嗪

乙胺嗪 基本信息
CAS号 90-89-1 分子式 C10H21N3O
分子量 199.29300 精确质量  199.16800
PSA  26.79000 LogP  0.57140

基本信息 展开↓

CAS号:
90-89-1
3D弹球模型:
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分子式:
C10H21N3O
分子量:
199.29300
中文名称:
乙胺嗪
英文名称:
N,N-DIETHYL-4-METHYL-1-PIPERAZINECARBOXAMIDE
中文别名:
乙胺嗪;
1-二乙胺基甲酰基-4-甲基哌嗪;
海群众
英文别名:
N,N-DIETHYL-4-METHYL-1-PIPERAZINECARBOXAMIDE;
patonin;
4-methyl-piperazine-1-carboxylic acid diethylamide;
Caracide;
84L;
Caricide;
Notezine;
rp3799;
Cypip;
diethycarbamazine;
Banocide;
4-Methyl-piperazin-1-carbonsaeure-diaethylamid;
Diethylcarbamazine;
Ethodryl
精确分子量/精确质量:
199.16800
极性分子表面积/PSA:
26.79000
油水分配系数/LogP:

LogP值指的是某物质在正辛醇/水两相体系中的分配系数的对数值,反映了物质在油水两相中的分配情况。其中、LogP值越大,说明该物质越亲油;反之,LogP值越小,则说明该物质越亲水。
InChI:
The Key: RCKMWOKWVGPNJF-UHFFFAOYSA-N

物化性质展开↓

外观与性状:
灰白色结晶粉末
密度:
1.013g/cm3
熔点:
137 - 140ºC
沸点:
139ºC
闪点:
98ºC
折射率:
1.492

合成路线查看所有的合成路线

  • 109-01-3

    N-甲基哌嗪

  • +

  • 65009-00-9

    phenyl N,N-diethylcarbamate

  • 90-89-1

    乙胺嗪

  • 51-75-2

    氮芥

  • 90-89-1

    乙胺嗪

  • 39539-66-7

    4-甲基哌嗪-1-甲酰氯

  • +

  • 109-89-7

    二乙胺

  • 90-89-1

    乙胺嗪

毒理性展开↓

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)

分子结构与计算化学数据展开↓

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

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