3-Methyl-2-(1-oxo-1,3-dihydro-2H-isoindol-2-yl)butanoic acid

CAS N/A MFCD00664642

化学结构图

N/A
SMILES: CC(C)C(C(O)=O)N1CC2C=CC=CC=2C1=O

化学属性

Mol. FormulaC13H15NO3
Mol. Weight233.26
Melting Point170 - 172 (°C)

别名和识别编码

Chemical Name3-Methyl-2-(1-oxo-1,3-dihydro-2H-isoindol-2-yl)butanoic acid
Alfabeta NameMETHYLOXODIHYDROISOINDOLYLBUTANOICACID H3211322()----------,
MDL NumberMFCD00664642
Synonym 3-Methyl-2-(1-oxo-1,3-dihydro-2H-isoindol-2-yl)butanoic acid
PubChem Substance ID329790308

分类

  • {KO} CarboxylicAcids
  • {SNA} Amines, Building Blocks, C13, Chemical Synthesis, Nitrogen Compounds, Organic Building Blocks

安全信息

Warnings IRRITANT
GHS Symbol
WGK Germany3
Precautionary statements
  • P501 Dispose of contents/container to..… 处理内容物/容器.....
  • P273 Avoid release to the environment. 避免释放到环境中。
Signal word Warning
Safety Statements
  • S61 Avoid release to the environment. Refer to special instructions/safety data sheet 避免释放到环境中，参考特别指示/安全收据说明书；
Hazard Codes Xn,N
Risk Statements
  • R50 Very toxic to aquatic organisms 对水生生物极毒
  • R22 Harmful if swallowed 吞咽有害
Hazard statements
  • H410 Verytoxictoaquaticlifewithlonglastingeffects 对水生生物毒性非常大并具有长期影响。
  • H302 Harmful if swallowed 吞食有害

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 Acceptors
3
Rotatable Bonds
3
H-bond Donors
1
LogP
2

系列性分类

  1. C13 - Amines

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