Ethyl 3,4-Dihydro-2H-Benzo[b][1,4]Oxazine-2-Carboxylate 3,4-二氢-2H-苯并[b][1,4]恶嗪-2-羧酸乙酯

CAS 22244-22-0 MFCD01663859

化学结构图

22244-22-0
SMILES: CCOC(=O)C1CNC2C=CC=CC=2O1

化学属性

Mol. FormulaC11H13NO3
Mol. Weight207
Melting PointOil (°C)

别名和识别编码

Chemical NameEthyl 3,4-Dihydro-2H-Benzo[b][1,4]Oxazine-2-Carboxylate
CAS Number22244-22-0
Alfabeta NameETHYLDIHYDROBENZOXAZINECARBOXYLATE H342142------,,
MDL NumberMFCD01663859
Synonym 3,4-Dihydro-2H-1,4-benzoxazine-2-carboxylic acid ethyl ester Ethyl 3,4-dihydro-2H-1,4-benzoxazine-2-carboxylate
Wiswesser Line NotationT66 BN EOT&J DVO2
Beilstein Registry Number0990855
PubChem Substance ID329790454
Chemical Name Translation3,4-二氢-2H-苯并[b][1,4]恶嗪-2-羧酸乙酯
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分类

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

安全信息

Warnings IRRITANT
RTECSDM3004000 
TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intraperitoneal
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 500 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   DPHFAK Dissertationes Pharmaceuticae et Pharmacologicae.  (Warsaw, Poland)
   V.18-24, 1966-72.  For publisher information, see PJPPAA.
   Volume(issue)/page/year: 21,25,1969

WGK Germany3
GHS Symbol
Precautionary statements
  • P273 Avoid release to the environment. 避免释放到环境中。
Signal word Warning
Hazard statements
  • H411 Toxictoaquaticlifewithlonglastingeffects 对水生生物有毒性并具有长期影响。
  • H302 Harmful if swallowed 吞食有害
Hazard Codes Xn
Risk Statements
  • R51 Toxic to aquatic organisms 对水生生物有毒
  • R22 Harmful if swallowed 吞咽有害

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

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

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