1-(3-Ethynylphenyl)-3,3-dimethyl-2-azetanone

CAS 886361-64-4 MFCD06200947

化学结构图

886361-64-4
SMILES: CC1(C)CN(C1=O)C1=CC(=CC=C1)C#C

化学属性

Mol. FormulaC13H13NO
Mol. Weight199.25
Melting Point57-59°

别名和识别编码

Chemical Name1-(3-ethynylphenyl)-3,3-dimethyl-2-azetanone
Alfabeta NameETHYNYLPHENYLDIMETHYLAZETANONE 13332()------,
MDL NumberMFCD06200947
CAS Number886361-64-4
Synonym 1-(3-ethynylphenyl)-3,3-dimethyl-2-azetanone
Chemical Name Translation
PubChem Substance ID329790687
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分类

  • {SNA} Azetidines, Building Blocks, Chemical Synthesis, Heterocyclic Building Blocks
  • {KO} Acetylenes

安全信息

Warnings IRRITANT
GHS Symbol
WGK Germany3
Precautionary statements
  • 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 Warning
Safety Statements
  • S36/37 Wear suitable protective clothing and gloves 穿戴适当的防护服和手套;
Hazard Codes Xn
Risk Statements
  • R43 May cause sensitisation by skin contact 皮肤接触会产生过敏反应
  • R22 Harmful if swallowed 吞咽有害

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 Acceptors
1
Rotatable Bonds
2
H-bond Donors
0
LogP
2

系列性分类


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