Pyrrolidinium, 1,1'-[[1,1'-biphenyl]-4,4'-diylbis(2-oxo-2,1-ethanediyl)]bis[1,3-dimethyl-, dibromide (9CI)

Pyrrolidinium, 1,1'-[[1,1'-biphenyl]-4,4'-diylbis(2-oxo-2,1-ethanediyl)]bis[1,3-dimethyl-, dibromide (9CI) 基本信息
CAS号 123489-63-4 分子式 C28H38N2O2.2Br
分子量 594.43258 精确质量  592.13000
PSA  34.14000 LogP  -1.38260

基本信息 展开↓

CAS号:
123489-63-4
3D弹球模型:
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分子式:
C28H38N2O2.2Br
分子量:
594.43258
英文名称:
Pyrrolidinium, 1,1'-[[1,1'-biphenyl]-4,4'-diylbis(2-oxo-2,1-ethanediyl)]bis[1,3-dimethyl-, dibromide (9CI)
英文别名:
Pyrrolidinium, 1,1'-[[1,1'-biphenyl]-4,4'-diylbis(2-oxo-2,1-ethanediyl)]bis[1,3-dimethyl-, dibromide (9CI)
精确分子量/精确质量:
592.13000
极性分子表面积/PSA:
34.14000
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: GMUKQTPUOLFLCT-UHFFFAOYSA-M

合成路线查看所有的合成路线

  • 45470-22-2

    N-methyl-3-methylpyrrolidine

  • +

  • 4072-67-7

    4,4’-二(2-溴乙酰基)联苯

  • ~85%

  • 123489-63-4

    2-(1,3-dimethylpyrrolidin-1-ium-1-yl)-1-[4-[4-[2-(1,3-dimethylpyrrolidin-1-ium-1-yl)acetyl]phenyl]phenyl]ethanone,dibromide

毒理性展开↓

CHEMICAL IDENTIFICATION

RTECS NUMBER :
UY3350020
CHEMICAL NAME :
Pyrrolidinium, 1,1'-((1,1'-biphenyl)-4,4'-diylbis(2-oxo-2,1-ethanedi yl))bis(1,3-dimethyl-, dibromide
CAS REGISTRY NUMBER :
123489-63-4
LAST UPDATED :
199103
DATA ITEMS CITED :
1
MOLECULAR FORMULA :
C28-H38-N2-O2.2Br
MOLECULAR WEIGHT :
594.50

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 :
499 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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  • 45470-22-2

    N-methyl-3-methylpyrrolidine

  • 4072-67-7

    4,4’-二(2-溴乙酰基)联苯

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