4-Chloro-3-Methyl-5-Amino Isoxazole 4-氯-3-甲基异恶唑-5-胺

CAS 166964-09-6 MFCD08443950

化学结构图

166964-09-6
SMILES: CC1=NOC(N)=C1Cl

化学属性

Mol. FormulaC4H5ClN2O
Mol. Weight132.55
Melting Point65 - 68 (°C)

别名和识别编码

Chemical Name4-Chloro-3-Methyl-5-Amino Isoxazole
CAS Number166964-09-6
Alfabeta NameCHLOROMETHYLISOXAZOLAMINE 435-----
MDL NumberMFCD08443950
Synonym 5-amino-4-chloro-3-methylisoxazole
PubChem Substance ID329788040
Chemical Name Translation4-氯-3-甲基异恶唑-5-胺
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分类

  • Building Blocks, Chemical Synthesis, Halogenated Heterocycles, Heterocyclic Building Blocks, Isoxazoles, New Products for Chemical Synthesis
  • {KO} AminesPrimary
  • {SNA} Building Blocks, Chemical Synthesis, Halogenated Heterocycles, Heterocyclic Building Blocks, Isoxazoles

安全信息

Warnings IRRITANT
WGK Germany3
GHS Symbol
Signal word Warning
Hazard statements
  • H302 Harmful if swallowed 吞食有害
Hazard Codes Xn
Risk Statements
  • 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 Acceptors
2
Rotatable Bonds
0
H-bond Donors
1
LogP
8.783000000000001e-001

系列性分类

  1. Chemical Synthesis 化学合成
  2. Building Blocks 合成砌块
  3. Heterocyclic Building Blocks 杂环合成砌块
  4. Halogenated Heterocycles 卤代杂环
  5. Isoxazoles - Halogenated Heterocycles

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