1-[(2-Aminoethyl)amino]-6-methyl-9H-xanthen-9-one

CAS N/A MFCD03425811

化学结构图

N/A
SMILES: CC1=CC2OC3C=CC=C(NCCN)C=3C(=O)C=2C=C1

化学属性

Mol. FormulaC16H16N2O2
Mol. Weight268.31
Melting Point178-180°

别名和识别编码

Chemical Name1-[(2-aminoethyl)amino]-6-methyl-9H-xanthen-9-one
Alfabeta NameAMINOETHYLAMINOMETHYLXANTHENONE H12699[]()--------
MDL NumberMFCD03425811
Synonym 1-[(2-aminoethyl)amino]-6-methyl-9H-xanthen-9-one
PubChem Substance ID329790824
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分类

  • {KO} Ketones
  • {KO} Diamines
  • {KO} AminesSecondaryHeteroNH
  • {KO} AminesPrimary
  • {SNA} Building Blocks, Chemical Synthesis, Heterocyclic Building Blocks, O-Containing, Others
  • {SNA} Building Blocks, Chemical Synthesis, Heterocyclic Building Blocks, O-Containing, Other Heterocyclic Building Blocks

安全信息

Warnings IRRITANT
WGK Germany3
GHS Symbol
Precautionary statements
  • P301+P310
Signal word Danger
Safety Statements
  • 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 statements
  • H301 Toxic if swallowed 吞食有毒
Hazard Codes T
Risk Statements
  • R25 Toxic if swallowed 吞咽有毒

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
2
H-bond Acceptors
3
Rotatable Bonds
3
LogP
1

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. Others 其他杂环
  5. O-Containing - Others

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