Morpholinium, 4,4'-[[1,1'-biphenyl]-4,4'-diylbis(2-oxo-2,1-ethanediyl)]bis[2,4-dimethyl-, dibromide (9CI)

Morpholinium, 4,4'-[[1,1'-biphenyl]-4,4'-diylbis(2-oxo-2,1-ethanediyl)]bis[2,4-dimethyl-, dibromide (9CI) 基本信息
CAS号 123489-68-9 分子式 C28H38N2O4.2Br
分子量 626.43056 精确质量  624.11983
PSA  52.60000 LogP  -2.62480

基本信息 展开↓

CAS号:
123489-68-9
3D弹球模型:
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分子式:
C28H38N2O4.2Br
分子量:
626.43056
英文名称:
Morpholinium, 4,4'-[[1,1'-biphenyl]-4,4'-diylbis(2-oxo-2,1-ethanediyl)]bis[2,4-dimethyl-, dibromide (9CI)
英文别名:
Morpholinium, 4,4'-[[1,1'-biphenyl]-4,4'-diylbis(2-oxo-2,1-ethanediyl)]bis[2,4-dimethyl-, dibromide (9CI)
精确分子量/精确质量:
624.11983
极性分子表面积/PSA:
52.60000
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: FBGQQACBCXIQCI-UHFFFAOYSA-M

合成路线查看所有的合成路线

  • 59229-58-2

    2,4-dimethylmorpholine

  • +

  • 4072-67-7

    4,4’-二(2-溴乙酰基)联苯

  • ~90%

  • 123489-68-9

    2-(2,4-dimethylmorpholin-4-ium-4-yl)-1-[4-[4-[2-(2,4-dimethylmorpholin-4-ium-4-yl)acetyl]phenyl]phenyl]ethanone,dibromide

  • 27550-90-9

    2-甲基吗啉

  • 123489-68-9

    2-(2,4-dimethylmorpholin-4-ium-4-yl)-1-[4-[4-[2-(2,4-dimethylmorpholin-4-ium-4-yl)acetyl]phenyl]phenyl]ethanone,dibromide

毒理性展开↓

CHEMICAL IDENTIFICATION

RTECS NUMBER :
QF2440675
CHEMICAL NAME :
Morpholinium, 4,4'-((1,1'-biphenyl)-4,4'-diylbis(2-oxo-2,1-ethanedi yl))bis(2,4-dimethyl-, dibromide
CAS REGISTRY NUMBER :
123489-68-9
LAST UPDATED :
199103
DATA ITEMS CITED :
1
MOLECULAR FORMULA :
C28-H38-N2-O4.2Br
MOLECULAR WEIGHT :
626.50

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intramuscular
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
8144 ug/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: 33,577,1990

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  • 59229-58-2

    2,4-dimethylmorpholine

  • 4072-67-7

    4,4’-二(2-溴乙酰基)联苯

  • 27550-90-9

    2-甲基吗啉

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