1-Cyanocyclopentane-1-Carboxylic Acid 1-氰基环戊烷-1-羧酸

CAS 540490-54-8 MFCD07345525

化学结构图

540490-54-8
SMILES: N#CC1(CCCC1)C(O)=O

化学属性

Mol. FormulaC7H9NO2
Mol. Weight139.15
Melting Point45 - 46 (°C)

别名和识别编码

Chemical Name1-Cyanocyclopentane-1-Carboxylic Acid
CAS Number540490-54-8
Alfabeta NameCYANOCYCLOPENTANECARBOXYLICACID 1-
MDL NumberMFCD07345525
Synonym 1-cyanocyclopentanecarboxylic acid
Chemical Name Translation1-氰基环戊烷-1-羧酸
PubChem Substance ID329789977
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分类

  • {KO} Nitriles
  • {KO} CarboxylicAcids
  • {SNA} Building Blocks, C6 to C7, Chemical Synthesis, Cyanides/Nitriles, Nitrogen Compounds, Organic Building Blocks

安全信息

Warnings IRRITANT
GHS Symbol
WGK Germany3
Precautionary statements
  • P301+P310
  • P273 Avoid release to the environment. 避免释放到环境中。
  • 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）；
Hazard Codes T
Risk Statements
  • R25 Toxic if swallowed 吞咽有毒
  • R36 Irritating to eyes 刺激眼睛
  • R52 Harmful to aquatic organisms 对水生生物有害
Hazard statements
  • H412 Harmfutoaquaticlifewithlonglastingeffects 对水生生物有害并具有长期影响。
  • H319 Causes serious eye irritation 严重刺激眼睛
  • H301 Toxic if swallowed 吞食有毒

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
1
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. Nitrogen Compounds 氮化合物
  5. Cyanides/Nitriles - Nitrogen Compounds
  6. C6 to C7 - Cyanides/Nitriles

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