3-(Cyanoacetyl)Indole 3-(氰基乙酰基)吲哚

CAS 20356-45-0 MFCD04610443

化学结构图

20356-45-0
SMILES: N#CCC(=O)C1=CNC2=CC=CC=C12

化学属性

Mol. FormulaC11H8N2O
Mol. Weight184
Melting Point238 - 240 (°C)

别名和识别编码

Chemical Name3-(Cyanoacetyl)Indole
CAS Number20356-45-0
Alfabeta NameINDOLYLOXOPROPANENITRILE H3133()------
MDL NumberMFCD04610443
Synonym 3-Cyanoacetyl-1H-indole ?-Oxo-1H-indole-3-propanenitrile
PubChem Substance ID354334047
Chemical Name Translation3-(氰基乙酰基)吲哚
Reaxys-RN474692
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分类

  • {KO} AminesSecondaryHeteroNH
  • {KO} Nitriles
  • {KO} Ketones
  • Building Blocks, C11, Chemical Synthesis, Heterocyclic Building Blocks, Indoles, New Products for Chemical Synthesis
  • {SNA} Building Blocks, C11, Chemical Synthesis, Heterocyclic Building Blocks, Indoles

安全信息

Warnings IRRITANT
GHS Symbol
WGK Germany3
Precautionary statements
  • P261 Avoid breathing dust/fume/gas/mist/vapours/spray. 避免吸入粉尘/烟/气体/烟雾/蒸汽/喷雾。
  • P264 Wash hands thoroughly after handling. 处理后要彻底洗净双手。
  • P270 Do not eat, drink or smoke when using this product. 使用本产品时不要吃东西，喝水或吸烟。
  • P271 Use only outdoors or in a well-ventilated area.? 只能在室外或通风良好的地方使用。
  • 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。
  • P301+P310+P330
  • P302+P352+P312+P361+P364
  • P304+P340+P311
  • P305+P351+P338+P337+P313
  • P403+P233
  • P405 Store locked up. 上锁保管。
  • P501 Dispose of contents/container to..… 处理内容物/容器.....
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）；
Hazard Codes T
Risk Statements
  • R25 Toxic if swallowed 吞咽有毒
  • R36 Irritating to eyes 刺激眼睛
Hazard statements
  • H301 Toxic if swallowed 吞食有毒
  • H301+H311+H331
  • H319 Causes serious eye irritation 严重刺激眼睛
Packing GroupIII
UN Number 3439
Hazard Class6.1

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
2
Rotatable Bonds
2
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. Indoles 吲哚
  5. C11 - Indoles

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