N-(2,6-dimethylmorpholin-4-yl)-1-[2-(5-nitrothiophen-2-yl)-1,3-thiazol-4-yl]methanimine

N-(2,6-dimethylmorpholin-4-yl)-1-[2-(5-nitrothiophen-2-yl)-1,3-thiazol-4-yl]methanimine 基本信息
CAS号 31898-45-0 分子式 C14H16N4O3S2
分子量 352.43200 精确质量  352.06600
PSA  140.02000 LogP  3.68400

基本信息 展开↓

CAS号:
31898-45-0
3D弹球模型:
立即前往扯扯看
分子式:
C14H16N4O3S2
分子量:
352.43200
英文名称:
N-(2,6-dimethylmorpholin-4-yl)-1-[2-(5-nitrothiophen-2-yl)-1,3-thiazol-4-yl]methanimine
英文别名:
N-(2,6-dimethylmorpholin-4-yl)-1-[2-(5-nitrothiophen-2-yl)-1,3-thiazol-4-yl]methanimine;
4-Morpholinamine,2,6-dimethyl-N-[[2-(5-nitro-2-thienyl)-4-thiazolyl]methylene]-;
Morpholine,2,6-dimethyl-4-[[[2-(5-nitro-2-thienyl)-4-thiazolyl]methylene]amino]- (8CI)
精确分子量/精确质量:
352.06600
极性分子表面积/PSA:
140.02000
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: QQJXJNWPZOUPMX-UHFFFAOYSA-N

物化性质展开↓

密度:
1.52g/cm3
沸点:
562.2ºC at 760mmHg
闪点:
293.8ºC
折射率:
1.722

合成路线查看所有的合成路线

  • 1456-29-7

    2,6-dimethylmorpholine-4-amine

  • +

  • 31898-37-0

    2-(5-nitrothiophen-2-yl)-1,3-thiazole-4-carbaldehyde

  • 31898-45-0

    N-(2,6-dimethylmorpholin-4-yl)-1-[2-(5-nitrothiophen-2-yl)-1,3-thiazol-4-yl]methanimine

  • 31898-32-5

    1-[2-(5-nitro-thiophen-2-yl)-thiazol-4-ylmethyl]-1,3,5,7-tetraaza-adamantanium, chloride

  • 31898-45-0

    N-(2,6-dimethylmorpholin-4-yl)-1-[2-(5-nitrothiophen-2-yl)-1,3-thiazol-4-yl]methanimine

  • 31898-33-6

    1-[2-(5-nitro-thiophen-2-yl)-thiazol-4-ylmethyl]-pyridinium, chloride

  • 31898-45-0

    N-(2,6-dimethylmorpholin-4-yl)-1-[2-(5-nitrothiophen-2-yl)-1,3-thiazol-4-yl]methanimine

毒理性展开↓

CHEMICAL IDENTIFICATION

RTECS NUMBER :
QD5698000
CHEMICAL NAME :
4-Morpholinamine, 2,6-dimethyl-N-((2-(5-nitro-2-thienyl)-4-thiazolyl)me thylene)-
CAS REGISTRY NUMBER :
31898-45-0
LAST UPDATED :
199612
DATA ITEMS CITED :
2
MOLECULAR FORMULA :
C14-H16-N4-O3-S2
MOLECULAR WEIGHT :
352.46

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
>1600 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
JMCMAR Journal of Medicinal Chemistry. (American Chemical Soc., Distribution Office Dept. 223, POB POB 57136, West End Stn., Washington, DC 20037) V.6- 1963- Volume(issue)/page/year: 18,794,1975
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
>800 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
JMCMAR Journal of Medicinal Chemistry. (American Chemical Soc., Distribution Office Dept. 223, POB POB 57136, West End Stn., Washington, DC 20037) V.6- 1963- Volume(issue)/page/year: 18,794,1975

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