1-[4-(4-methylpiperazino)phenyl]-1-ethanone 1-[4-(4-甲基哌嗪)苯基]-1-苯乙酮

CAS 26586-55-0 MFCD00023297

化学结构图

26586-55-0
SMILES: CN1CCN(CC1)C1C=CC(=CC=1)C(C)=O

化学属性

Mol. FormulaC13H18N2O
Mol. Weight218
Melting Point99-102°

别名和识别编码

Chemical Name1-[4-(4-methylpiperazino)phenyl]-1-ethanone
CAS Number26586-55-0
Alfabeta NameMETHYLPIPERAZINOPHENYLETHANONE 1441[]()-----
MDL NumberMFCD00023297
Chemical Name Translation1-[4-(4-甲基哌嗪)苯基]-1-苯乙酮
Synonym p-(4-Methylpiperazino)-acetophenone
Wiswesser Line NotationT6N DNTJ A1 DR DV1
Beilstein Registry Number0885205
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分类

  • {KO} Ketones

安全信息

Warnings IRRITANT
RTECSAM9472500 
TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intravenous
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 56 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   CSLNX* U.S. Army Armament Research & Development Command, Chemical Systems
   Laboratory, NIOSH Exchange Chemicals.  (Aberdeen Proving Ground, MD 21010)
   Volume(issue)/page/year: NX#04794

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
2
Rotatable Bonds
2
H-bond Donors
0
LogP
9.484010000000001e-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. Piperazines 哌嗪

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