[3-(4-Methoxyphenyl)-5-isoxazolyl]methanamine

CAS 338982-43-7 MFCD01935989

化学结构图

338982-43-7
SMILES: COC1=CC=C(C=C1)C1C=C(CN)ON=1

化学属性

Mol. FormulaC11H12N2O2
Mol. Weight204.23
Melting Point119-122°

别名和识别编码

Chemical Name[3-(4-methoxyphenyl)-5-isoxazolyl]methanamine
CAS Number338982-43-7
Alfabeta NameMETHOXYPHENYLISOXAZOLYLMETHANAMINE 345[]()----
MDL NumberMFCD01935989
Synonym [3-(4-methoxyphenyl)-5-isoxazolyl]methanamine
Chemical Name Translation
PubChem Substance ID329790598
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分类

  • {SNA} Building Blocks, Chemical Synthesis, Heterocyclic Building Blocks, Isoxazoles
  • {KO} AminesPrimary

安全信息

Warnings IRRITANT
GHS Symbol
WGK Germany3
Precautionary statements
  • P301+P310
  • P261 Avoid breathing dust/fume/gas/mist/vapours/spray. 避免吸入粉尘/烟/气体/烟雾/蒸汽/喷雾。
  • P280 Wear protective gloves/protective clothing/eye protection/face protection. 戴防护手套/防护服/眼睛的保护物/面部保护物。
  • P305+P351+P338
Signal word Danger
Safety Statements
  • S26 In case of contact with eyes, rinse immediately with plenty of water and seek medical advice 眼睛接触后，立即用大量水冲洗并征求医生意见；
  • S45 In case of accident or if you feel unwell seek medical advice immediately (show the label where possible) 发生事故时或感觉不适时，立即求医（可能时出示标签）；
  • S39 Wear eye/face protection 戴眼睛/面孔保护装置；
Hazard Codes T
Risk Statements
  • R25 Toxic if swallowed 吞咽有毒
  • R41 Risk of serious damage to eyes 有严重损伤眼睛的危险
  • R37/38 Irritating to respiratory system and skin 对呼吸系统和皮肤有刺激性
Hazard statements
  • H315 Causes skin irritation 会刺激皮肤
  • H318 Causes serious eye damage 严重伤害眼睛
  • H301 Toxic if swallowed 吞食有毒
  • H335 May cause respiratory irritation 可能导致呼吸道刺激

药物吸收、分布、代谢与排泄(ADME)

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

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. Isoxazoles 异恶唑

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