ethyl 4-(2,5-dimethyl-1H-pyrrol-1-yl)benzoate ethyl 4-(2,5-dimethyl-1H-pyrrol-1-yl)benzoate

CAS 5159-70-6 MFCD00022462

化学结构图

5159-70-6
SMILES: CCOC(=O)c1ccc(-n2c(C)ccc2C)cc1

化学属性

Mol. FormulaC15H17NO2
Mol. Weight243.30
Melting Point90-92 °C

别名和识别编码

Chemical Nameethyl 4-(2,5-dimethyl-1H-pyrrol-1-yl)benzoate
CAS Number5159-70-6
Alfabeta NameETHYLDIMETHYLPYRROLYLBENZENECARBOXYLATE H42511()-------,
MDL NumberMFCD00022462
Chemical Name Translationethyl 4-(2,5-dimethyl-1H-pyrrol-1-yl)benzoate
Synonym Ethyl 4-(2,5-dimethyl-1h-pyrrol-1-yl)benzoate {LY} Ethyl 4-(2,5-dimethyl-1h-pyrrol-1-yl)benzoate {} {LY} Ethyl 4-(2,5-dimethyl-1h-pyrrol-1-yl)benzoate {} {} {LY} Ethyl 4-(2,5-dimethyl-1h-pyrrol-1-yl)benzoate {} {} {} {LY} Ethyl 4-(2,5-dimethyl-1h-pyrrol-1-yl)benzoate {} {} {} {} {LY} Ethyl 4-(2,5-dimethyl-1h-pyrrol-1-yl)benzoate {} {} {} {} {} {LY} Ethyl 4-(2,5-dimethyl-1h-pyrrol-1-yl)benzoate {} {} {} {} {} {} {LY} Ethyl 4-(2,5-dimethyl-1h-pyrrol-1-yl)benzoate {} {} {} {} {} {} {} {LY} Ethyl 4-(2,5-dimethyl-1h-pyrrol-1-yl)benzoate {} {} {} {} {} {} {} {} {LY} Ethyl 4-(2,5-dimethyl-1h-pyrrol-1-yl)benzoate {} {} {} {} {} {} {} {} {} {LY} Ethyl 4-(2,5-dimethyl-1h-pyrrol-1-yl)benzoate {} {} {} {} {} {} {} {} {} {} {LY} Ethyl 4-(2,5-dimethyl-1h-pyrrol-1-yl)benzoate {} {} {} {} {} {} {} {} {} {} {} {LY} Ethyl 4-(2,5-dimethyl-1h-pyrrol-1-yl)benzoate {} {} {} {} {} {} {} {} {} {} {} {} {LY} Ethyl 4-(2,5-dimethyl-1h-pyrrol-1-yl)benzoate {} {} {} {} {} {} {} {} {} {} {} {}
LabNetwork Molecule IDLN00148507
PubChem Substance ID702059
InChIInChI=1S/C15H17NO2/c1-4-18-15(17)13-7-9-14(10-8-13)16-11(2)5-6-12(16)3/h5-10H,4H2,1-3H3
Canonical SMILESO=C(OCC)C1=CC=C(N2C(C)=CC=C2C)C=C1
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分类

  • {KO} Esters

安全信息

Warnings IRRITANT
Hazard statements
  • H413 Maycauselonglastingharmfuleffectstoaquaticlife 可能对水生生物造成长期持续有害影响。
Precautionary statements
  • P273 Avoid release to the environment. 避免释放到环境中。
  • P501 Dispose of contents/container to..… 处理内容物/容器.....
Storage condition

药物吸收、分布、代谢与排泄(ADME)

Lipinski's Rule of 5
Y
H-bond Acceptors
2
Rotatable Bonds
4
H-bond Donors
0
LogP
3

系列性分类

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