2-Amino-1-benzyl-4,5-dimethyl-1H-pyrrole-3-carbonitrile

CAS 55817-72-6 MFCD01935932

化学结构图

55817-72-6
SMILES: CC1=C(C)C(C#N)=C(N)N1CC1C=CC=CC=1

化学属性

Mol. FormulaC14H15N3
Mol. Weight225.29
Melting Point152-155°

别名和识别编码

Chemical Name2-amino-1-benzyl-4,5-dimethyl-1H-pyrrole-3-carbonitrile
CAS Number55817-72-6
Alfabeta NameAMINOBENZYLDIMETHYLPYRROLECARBONITRILE H214513---------,
MDL NumberMFCD01935932
Synonym 2-amino-1-benzyl-4,5-dimethyl-1H-pyrrole-3-carbonitrile
PubChem Substance ID329790588
Chemical Name Translation
信息真实价格透明    资金保障    专业采购外包团队在线服务   
信息真实价格透明    资金保障    专业采购外包团队在线服务   
品牌质保精细包装    现货库存    一流品牌服务   

分类

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

安全信息

Warnings IRRITANT
GHS Symbol
WGK Germany3
Precautionary statements
  • P301+P310
  • 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
Hazard statements
  • 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
1
Rotatable Bonds
2
LogP
2

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. Pyrroles 吡咯

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