diethyl 2-(1-nitroethyl)succinate 2-(1-硝基乙基)琥珀酸二乙酯

CAS 4753-29-1 MFCD11841060

化学结构图

4753-29-1
SMILES: CCOC(=O)CC(C(=O)OCC)C(C)[N+](=O)[O-]

化学属性

Mol. FormulaC10H17NO6
Mol. Weight247.25
Melting PointOil (°C)
Boiling Point119-121 °C at 0.4 mmHg

别名和识别编码

Chemical Namediethyl 2-(1-nitroethyl)succinate
CAS Number4753-29-1
Alfabeta NameDIETHYLNITROETHYLSUCCINATE 21()--
MDL NumberMFCD11841060
Chemical Name Translation2-(1-硝基乙基)琥珀酸二乙酯
LabNetwork Molecule IDLN00152718
PubChem Substance ID45588454
InChIInChI=1S/C10H17NO6/c1-4-16-9(12)6-8(7(3)11(14)15)10(13)17-5-2/h7-8H,4-6H2,1-3H3
Synonym Diethyl 2-(1-nitroethyl)succinate {LY} Diethyl 2-(1-nitroethyl)succinate {} {LY} Diethyl 2-(1-nitroethyl)succinate {} {} {LY} Diethyl 2-(1-nitroethyl)succinate {} {} {} {LY} Diethyl 2-(1-nitroethyl)succinate {} {} {} {} {LY} Diethyl 2-(1-nitroethyl)succinate {} {} {} {} {} {LY} Diethyl 2-(1-nitroethyl)succinate {} {} {} {} {} {} {LY} Diethyl 2-(1-nitroethyl)succinate {} {} {} {} {} {} {} {LY} Diethyl 2-(1-nitroethyl)succinate {} {} {} {} {} {} {} {} {LY} Diethyl 2-(1-nitroethyl)succinate {} {} {} {} {} {} {} {} {} {LY} Diethyl 2-(1-nitroethyl)succinate {} {} {} {} {} {} {} {} {} {} {LY} Diethyl 2-(1-nitroethyl)succinate {} {} {} {} {} {} {} {} {} {} {} {LY} Diethyl 2-(1-nitroethyl)succinate {} {} {} {} {} {} {} {} {} {} {} {} {LY} Diethyl 2-(1-nitroethyl)succinate {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Diethyl 2-(1-nitroethyl)succinate {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Diethyl 2-(1-nitroethyl)succinate {} {} {} {} {} {} {} {} {} {} {} {} {} {} {
Canonical SMILESCCOC(=O)CC(C(C)[N+](=O)[O-])C(=O)OCC
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分类

  • {KO} Nitros
  • {KO} Esters

安全信息

Warnings IRRITANT
Storage condition

药物吸收、分布、代谢与排泄(ADME)

Lipinski's Rule of 5
Y
H-bond Acceptors
6
Rotatable Bonds
8
H-bond Donors
0
LogP
9.012990000000001e-001

系列性分类

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