1-Cyanocyclobutanecarboxylic Acid 1-氰基环丁烷羧酸

CAS 30491-91-9 MFCD11100208

化学结构图

30491-91-9
SMILES: N#CC1(CCC1)C(O)=O

化学属性

Mol. FormulaC6H7NO2
Mol. Weight125.13
Melting Point68-69°

别名和识别编码

Chemical Name1-Cyanocyclobutanecarboxylic Acid
CAS Number30491-91-9
Alfabeta NameCYANOCYCLOBUTANECARBOXYLICACID 1-
MDL NumberMFCD11100208
Synonym 1-cyanocyclobutanecarboxylic acid
PubChem Substance ID329788714
Chemical Name Translation1-氰基环丁烷羧酸
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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
9.779000000000000e-001

系列性分类

  1. Chemical Synthesis 化学合成
  2. Building Blocks 合成砌块
  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. Others 其他杂环
  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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