6-(tert-Butyl)-2H-benzo[b][1,4]oxazin-3(4H)-one 6-(叔丁基)-2H-苯并[b][1,4]噁嗪-3(4H)-酮

CAS 6238-96-6 MFCD03830266

化学结构图

6238-96-6
SMILES: CC(C)(C)c1ccc2c(c1)NC(=O)CO2

化学属性

Mol. FormulaC12H15NO2
Mol. Weight205.25
Melting Point149-151 °C
Boiling Point344.7±42.0 °C at 760 mmHg

别名和识别编码

Chemical Name6-(tert-Butyl)-2H-benzo[b][1,4]oxazin-3(4H)-one
CAS Number6238-96-6
Alfabeta NameBUTYLBENZOXAZINONE TERTHH621434(())-------,
MDL NumberMFCD03830266
Chemical Name Translation6-(叔丁基)-2H-苯并[b][1,4]噁嗪-3(4H)-酮
LabNetwork Molecule IDLN00147282
PubChem Substance ID5129950
InChIInChI=1S/C12H15NO2/c1-12(2,3)8-4-5-10-9(6-8)13-11(14)7-15-10/h4-6H,7H2,1-3H3,(H,13,14)
Synonym 6-(Tert-butyl)-2H-benzo[b][1,4]oxazin-3(4H)-one {LY} 6-(Tert-butyl)-2H-benzo[b][1,4]oxazin-3(4H)-one {} {LY} 6-(Tert-butyl)-2H-benzo[b][1,4]oxazin-3(4H)-one {} {} {LY} 6-(Tert-butyl)-2H-benzo[b][1,4]oxazin-3(4H)-one {} {} {} {LY} 6-(Tert-butyl)-2H-benzo[b][1,4]oxazin-3(4H)-one {} {} {} {} {LY} 6-(Tert-butyl)-2H-benzo[b][1,4]oxazin-3(4H)-one {} {} {} {} {} {LY} 6-(Tert-butyl)-2H-benzo[b][1,4]oxazin-3(4H)-one {} {} {} {} {} {} {LY} 6-(Tert-butyl)-2H-benzo[b][1,4]oxazin-3(4H)-one {} {} {} {} {} {} {} {LY} 6-(Tert-butyl)-2H-benzo[b][1,4]oxazin-3(4H)-one {} {} {} {} {} {} {} {} {LY} 6-(Tert-butyl)-2H-benzo[b][1,4]oxazin-3(4H)-one {} {} {} {} {} {} {} {} {} {LY} 6-(Tert-butyl)-2H-benzo[b][1,4]oxazin-3(4H)-one {} {} {} {} {} {} {} {} {} {} {LY} 6-(Tert-butyl)-2H-benzo[b][1,4]oxazin-3(4H)-one {} {} {} {} {} {} {} {} {} {} {} {LY} 6-(Tert-butyl)-2H-benzo[b][1,4]oxazin-3(4H)-one {} {} {} {} {} {} {} {} {} {} {} {} {LY} 6-(Tert-butyl)-2H-benzo[b][1,4]oxazin-3(4H)-one {} {} {}
Canonical SMILESCC(C)(C1=CC2=C(OCC(N2)=O)C=C1)C
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分类

  • {KO} AminesSecondaryHeteroNH

安全信息

Warnings IRRITANT
Storage condition

药物吸收、分布、代谢与排泄(ADME)

Lipinski's Rule of 3
Y
Lipinski's Rule of 5
Y
H-bond Donors
1
H-bond Acceptors
2
Rotatable Bonds
1
LogP
1

系列性分类

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