Urea, (m-methoxyphenyl)- 1-(3-甲氧基苯基)脲

CAS 139-77-5 MFCD00025423

化学结构图

139-77-5
SMILES: COc1cccc(NC(N)=O)c1

化学属性

Mol. FormulaC8H10N2O2
Mol. Weight166.18
Melting Point138-139 °C
Flash Point123 ºC
Boiling Point280 °C at 760 mmHg
Density1.243

别名和识别编码

Chemical NameUrea, (m-methoxyphenyl)-
CAS Number139-77-5
Alfabeta NameMETHOXYPHENYLUREA N3()--
MDL NumberMFCD00025423
Synonym 1-(3-Methoxyphenyl)urea {LY} 1-(3-Methoxyphenyl)urea {} {LY} 1-(3-Methoxyphenyl)urea {} {} {LY} 1-(3-Methoxyphenyl)urea {} {} {} {LY} 1-(3-Methoxyphenyl)urea {} {} {} {} {LY} 1-(3-Methoxyphenyl)urea {} {} {} {} {} {LY} 1-(3-Methoxyphenyl)urea {} {} {} {} {} {} {LY} 1-(3-Methoxyphenyl)urea {} {} {} {} {} {} {} {LY} 1-(3-Methoxyphenyl)urea {} {} {} {} {} {} {} {} {LY} 1-(3-Methoxyphenyl)urea {} {} {} {} {} {} {} {} {} {LY} 1-(3-Methoxyphenyl)urea {} {} {} {} {} {} {} {} {} {} {LY} 1-(3-Methoxyphenyl)urea {} {} {} {} {} {} {} {} {} {} {} {LY} 1-(3-Methoxyphenyl)urea {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {LY} 1-(3-Methoxyphenyl)urea {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 1-(3-Methoxyphenyl)urea {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 1-(3-Methoxyphenyl)urea {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 1-(3-Methoxyphenyl)urea {} {} {} {} {} {} {} {} {} {} {} {} {} {} {
Chemical Name Translation1-(3-甲氧基苯基)脲
Wiswesser Line NotationZVMR CO1
Beilstein Registry Number2641163
InChIKeyWDHPVLQWHRHMEY-UHFFFAOYSA-N
LabNetwork Molecule IDLN00148571
PubChem Substance ID101483
InChIInChI=1S/C8H10N2O2/c1-12-7-4-2-3-6(5-7)10-8(9)11/h2-5H,1H3,(H3,9,10,11)
Canonical SMILESCOC1=CC=CC(NC(N)=O)=C1
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分类

  • {KO} AminesPrimary
  • {KO} AminesSecondaryHeteroNH

安全信息

Warnings IRRITANT
RTECSYT6451000 
TYPE OF TEST            : LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE       : Intraperitoneal
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 664 mg/kg
TOXIC EFFECTS :
   Behavioral - general anesthetic
   Behavioral - somnolence (general depressed activity)
REFERENCE :
   JPETAB Journal of Pharmacology and Experimental Therapeutics.  (Williams &
   Wilkins Co., 428 E. Preston St., Baltimore, MD 21202)  V.1-    1909/10-
   Volume(issue)/page/year: 54,188,1935

Storage condition

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
2
Rotatable Bonds
2
LogP
3.716000000000000e-001

系列性分类

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