Diethyl (pyridin-3-ylmethylene)dicarbamate (吡啶-3-基亚甲基)二氨基甲酸二乙酯

CAS 2744-17-4 MFCD00051739

化学结构图

2744-17-4
SMILES: CCOC(=O)NC(NC(=O)OCC)c1cccnc1

化学属性

Mol. FormulaC12H17N3O4
Mol. Weight267.28
Melting Point163-164 °C
Boiling Point472.9±45.0 °C at 760 mmHg

别名和识别编码

Chemical NameDiethyl (pyridin-3-ylmethylene)dicarbamate
CAS Number2744-17-4
Alfabeta NameETHYLETHOXYCARBONYLAMINOPYRIDINYLMETHYLCARBAMATE N3[[]](())---
MDL NumberMFCD00051739
Synonym Diethyl (pyridin-3-ylmethylene)dicarbamate {LY} Diethyl (pyridin-3-ylmethylene)dicarbamate {} {LY} Diethyl (pyridin-3-ylmethylene)dicarbamate {} {} {LY} Diethyl (pyridin-3-ylmethylene)dicarbamate {} {} {} {LY} Diethyl (pyridin-3-ylmethylene)dicarbamate {} {} {} {} {LY} Diethyl (pyridin-3-ylmethylene)dicarbamate {} {} {} {} {} {LY} Diethyl (pyridin-3-ylmethylene)dicarbamate {} {} {} {} {} {} {LY} Diethyl (pyridin-3-ylmethylene)dicarbamate {} {} {} {} {} {} {} {LY} Diethyl (pyridin-3-ylmethylene)dicarbamate {} {} {} {} {} {} {} {} {LY} Diethyl (pyridin-3-ylmethylene)dicarbamate {} {} {} {} {} {} {} {} {} {LY} Diethyl (pyridin-3-ylmethylene)dicarbamate {} {} {} {} {} {} {} {} {} {} {LY} Diethyl (pyridin-3-ylmethylene)dicarbamate {} {} {} {} {} {} {} {} {} {} {} {LY} Diethyl (pyridin-3-ylmethylene)dicarbamate {} {} {} {} {} {} {} {} {} {} {} {} {LY} Diethyl (pyridin-3-ylmethylene)dicarbamate {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Diethyl (pyridin-3-ylmethylene)dic
Chemical Name Translation(吡啶-3-基亚甲基)二氨基甲酸二乙酯
LabNetwork Molecule IDLN00150378
PubChem Substance ID261476
InChIInChI=1S/C12H17N3O4/c1-3-18-11(16)14-10(15-12(17)19-4-2)9-6-5-7-13-8-9/h5-8,10H,3-4H2,1-2H3,(H,14,16)(H,15,17)
Canonical SMILESCCOC(=O)NC(C1=CN=CC=C1)NC(=O)OCC
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分类

  • Aromatics
  • {KO} Misc

安全信息

Warnings IRRITANT
Storage condition

药物吸收、分布、代谢与排泄(ADME)

H-bond Donors
2
H-bond Acceptors
5
Lipinski's Rule of 5
Y
LogP
1
Rotatable Bonds
7

系列性分类

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