2-Amino-3-Cyano-4,5-Dimethylpyrrole 2-氨基-3-氰基-4,5-二甲基吡咯

CAS 21392-51-8 MFCD00849263

化学结构图

21392-51-8
SMILES: CC1NC(N)=C(C#N)C=1C

化学属性

Mol. FormulaC7H9N3
Mol. Weight135.17
Melting Point164-166°

别名和识别编码

Chemical Name2-Amino-3-Cyano-4,5-Dimethylpyrrole
CAS Number21392-51-8
Alfabeta NameAMINODIMETHYLPYRROLECARBONITRILE H24513-------,
MDL NumberMFCD00849263
Synonym 2-Amino-4,5-dimethyl-1H-pyrrole-3-carbonitrile 2-amino-3-cyano-4,5-dimethylpyrrole
PubChem Substance ID329780289
Chemical Name Translation2-氨基-3-氰基-4,5-二甲基吡咯
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分类

  • {KO} AminesSecondaryHeteroNH
  • {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
  • 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；
  • S39 Wear eye/face protection 戴眼睛/面孔保护装置；
Hazard Codes Xn
Risk Statements
  • R37/38 Irritating to respiratory system and skin 对呼吸系统和皮肤有刺激性
  • R22 Harmful if swallowed 吞咽有害
  • R41 Risk of serious damage to eyes 有严重损伤眼睛的危险

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
2
H-bond Acceptors
1
Rotatable Bonds
0
LogP
5.596000000000001e-001

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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