3-(3,4-Dimethoxyphenyl)-3-Oxopropanenitrile 3,4-二甲氧基苯甲酰乙腈

CAS 4640-69-1 MFCD02260783

化学结构图

4640-69-1
SMILES: COc1ccc(C(=O)CC#N)cc1OC

化学属性

Mol. FormulaC11H11NO3
Mol. Weight205.21
Melting Point139-141 °C
Boiling Point377.5±32.0 °C at 760 mmHg

别名和识别编码

Chemical Name3-(3,4-Dimethoxyphenyl)-3-Oxopropanenitrile
CAS Number4640-69-1
Alfabeta NameDIMETHOXYPHENYLOXOPROPANENITRILE 3343()----,
MDL NumberMFCD02260783
Synonym 3,4-Dimethoxy-β-oxobenzenepropanenitrile {LY} 3,4-Dimethoxy-β-oxobenzenepropanenitrile {} {LY} 3,4-Dimethoxy-β-oxobenzenepropanenitrile {} {} {LY} 3,4-Dimethoxy-β-oxobenzenepropanenitrile {} {} {} {LY} 3,4-Dimethoxy-β-oxobenzenepropanenitrile {} {} {} {} {LY} 3,4-Dimethoxy-β-oxobenzenepropanenitrile {} {} {} {} {} {LY} 3,4-Dimethoxy-β-oxobenzenepropanenitrile {} {} {} {} {} {} {LY} 3,4-Dimethoxy-β-oxobenzenepropanenitrile {} {} {} {} {} {} {} {LY} 3,4-Dimethoxy-β-oxobenzenepropanenitrile {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 3,4-Dimethoxy-β-oxobenzenepropanenitrile {} {} {} {} {} {} {} {} {} {LY} 3,4-Dimethoxy-β-oxobenzenepropanenitrile {} {} {} {} {} {} {} {} {} {} {LY} 3,4-Dimethoxy-β-oxobenzenepropanenitrile {} {} {} {} {} {} {} {} {} {} {} {LY} 3,4-Dimethoxy-β-oxobenzenepropanenitrile {} {} {} {} {} {} {} {} {} {} {} {} {LY} 3,4-Dimethoxy-β-oxobenzenepropanenitrile {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 3,4-Dimethoxy-β-oxobenzenepropanenitr
Chemical Name Translation3,4-二甲氧基苯甲酰乙腈
LabNetwork Molecule IDLN00150532
Canonical SMILESCOC1=C(C=C(C=C1)C(=O)CC#N)OC
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分类

  • {KO} Nitriles
  • {KO} Ketones

安全信息

Warnings IRRITANT
Storage condition Store at room temperature {LY} Store at room temperature {} {LY} Store at room temperature {} {} {LY} Store at room temperature {} {} {} {LY} Store at room temperature {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {}

药物吸收、分布、代谢与排泄(ADME)

Lipinski's Rule of 5
Y
H-bond Donors
0
H-bond Acceptors
4
Rotatable Bonds
4
LogP
8.757010000000002e-001

系列性分类

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