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- 环丙甲酰胺,1-氟-N-(6-氟-3-吡啶基)- (9CI)
环丙甲酰胺,1-氟-N-(6-氟-3-吡啶基)- (9CI)
环丙甲酰胺,1-氟-N-(6-氟-3-吡啶基)- (9CI) 基本信息
- 中文名称:
- 环丙甲酰胺,1-氟-N-(6-氟-3-吡啶基)- (9CI)
- 中文别名:
- 环丙甲酰胺,1-氟-N-(6-氟-3-吡啶基)- (9CI)
- 英文名称:
- Acetamide,N-[2,4-dibromo-6-[(cyclohexylmethylamino)methyl]phenyl]-2-[[5-methyl-2-(1-methylethyl)cyclohexyl]oxy]-,hydrochloride (1:1)
- 英文别名:
- N-[2,4-dibromo-6-[[cyclohexyl(methyl)amino]methyl]phenyl]-2-(5-methyl-2-propan-2-ylcyclohexyl)oxyacetamide,hydrochloride;
IFT 1027;
LS-8807;
Acetamide,N-(2,4-dibromo-6-((cyclohexylmethylamino)methyl)phenyl)-2-((5-methyl-2-(1-methylethyl)cyclohexyl)oxy)-,monohydrochloride;
N-[2,4-dibromo-6-[[cyclohexyl(methyl)amino]methyl]phenyl]-2-(5-methyl-2-propan-2-ylcyclohexyl)oxyacetamide hydrochloride
- CAS No.:
- 71420-36-5
- 分 子 式:
- C26H40Br2N2O2.ClH
- 分 子 量:
- 0
- 精确分子量:
- 606.12200
- PSA:
- 45.06000
- 分子结构式:
-
- SDS:
- 查看
环丙甲酰胺,1-氟-N-(6-氟-3-吡啶基)- (9CI) 物化性质
- 沸点:
- 610.8ºC at 760 mmHg
- 闪点:
- 323.2ºC
环丙甲酰胺,1-氟-N-(6-氟-3-吡啶基)- (9CI) 毒理性
CHEMICAL IDENTIFICATION
- RTECS NUMBER :
- AB6315000
- CHEMICAL NAME :
- Acetamide,
N-(2,4-dibromo-6-((cyclohexylmethylamino)methyl)pheny
l)-2-((5-methyl-2-(1- methylethyl)cyclohexyl)oxy)-,
monohydrochloride
- CAS REGISTRY NUMBER :
- 71420-36-5
- LAST UPDATED :
- 199712
- DATA ITEMS CITED :
- 1
- MOLECULAR FORMULA :
- C26-H40-Br2-N2-O2.Cl-H
- MOLECULAR WEIGHT :
- 608.96
HEALTH HAZARD DATA
ACUTE TOXICITY DATA
- TYPE OF TEST :
- LD - Lethal dose
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Rodent - rat
- DOSE/DURATION :
- >3 gm/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- GWXXBX German Offenlegungsschrift Patent Document. (U.S. Patent and
Trademark Office, Foreign Patents, Washington, DC 20231)
Volume(issue)/page/year: #2835043
环丙甲酰胺,1-氟-N-(6-氟-3-吡啶基)- (9CI) 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:3
4.可旋转化学键数量:8
5.互变异构体数量:3
6.拓扑分子极性表面积:41.6
7.重原子数量:33
8.表面电荷:0
9.复杂度:584
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:3
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