Methyl 2-(3-oxo-3,4-dihydro-2H-1,4- benzoxazin-6-yl)acetate 甲基 2-(3-氧亚基-3,4-二氢-2H-1,4-苯并噁嗪-6-YL)醋酸盐

CAS 866038-49-5 MFCD04125579

化学结构图

866038-49-5
SMILES: COC(=O)CC1=CC2NC(=O)COC=2C=C1

化学属性

Mol. FormulaC11H11NO4
Mol. Weight221
Melting Point128-130°

别名和识别编码

Chemical NameMethyl 2-(3-oxo-3,4-dihydro-2H-1,4- benzoxazin-6-yl)acetate
Alfabeta NameMETHYLOXODIHYDROBENZOXAZINYLACETATE H23342146()---------,,
MDL NumberMFCD04125579
CAS Number866038-49-5
Synonym Methyl 2-(3-oxo-3,4-dihydro-2H-1,4-benzoxazin-6-yl)acetate
PubChem Substance ID329790648
Chemical Name Translation甲基 2-(3-氧亚基-3,4-二氢-2H-1,4-苯并噁嗪-6-YL)醋酸盐
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分类

  • {KO} AminesSecondaryHeteroNH
  • {SNA} Amines, Building Blocks, C11, Chemical Synthesis, Ethers, Nitrogen Compounds, Organic Building Blocks, Oxygen Compounds
  • {KO} Esters

安全信息

Warnings IRRITANT
GHS Symbol
WGK Germany3
Signal word Warning
Hazard Codes Xn
Risk Statements
  • R22 Harmful if swallowed 吞咽有害
Hazard statements
  • H302 Harmful if swallowed 吞食有害

药物吸收、分布、代谢与排泄(ADME)

Lipinski's Rule of 5
Y
H-bond Donors
1
H-bond Acceptors
4
Rotatable Bonds
3
LogP
1.510000000000000e-002

系列性分类

  1. Chemical Synthesis 化学合成
  2. Building Blocks 合成砌块
  3. Organic Building Blocks 有机砌块
  4. Oxygen Compounds 氧化合物
  5. Ethers - Oxygen Compounds
  6. C11 to C12 - Ethers
  1. C11 - Amines

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