CAS 5973-83-1 MFCD00179685-1-(Pyridin-3-Yl)Ethanone Oxime 1-(3-吡啶l)乙-1-酮肟 TAO{mole}

1-(Pyridin-3-Yl)Ethanone Oxime 1-(3-吡啶l)乙-1-酮肟

CAS 5973-83-1 MFCD00179685

化学结构图

SMILES: C/C(=N\O)c1cccnc1

化学属性

Mol. Formula	C7H8N2O
Mol. Weight	136.15
Melting Point	103°C
Boiling Point	277.1°C at 760 mmHg
Flash Point	121.4°C

别名和识别编码

Chemical Name	1-(Pyridin-3-Yl)Ethanone Oxime
CAS Number	5973-83-1
Alfabeta Name	PYRIDINYLETHANONEOXIME 131()----
MDL Number	MFCD00179685
Synonym	Methyl 3-pyridyl ketoxime {LY} Methyl 3-pyridyl ketoxime {} {LY} Methyl 3-pyridyl ketoxime {} {} {LY} Methyl 3-pyridyl ketoxime {} {} {} {LY} Methyl 3-pyridyl ketoxime {} {} {} {} {LY} Methyl 3-pyridyl ketoxime {} {} {} {} {} {LY} Methyl 3-pyridyl ketoxime {} {} {} {} {} {} {LY} Methyl 3-pyridyl ketoxime {} {} {} {} {} {} {} {LY} Methyl 3-pyridyl ketoxime {} {} {} {} {} {} {} {} {LY} Methyl 3-pyridyl ketoxime {} {} {} {} {} {} {} {} {} {LY} Methyl 3-pyridyl ketoxime {} {} {} {} {} {} {} {} {} {} {LY} Methyl 3-pyridyl ketoxime {} {} {} {} {} {} {} {} {} {} {} {LY} Methyl 3-pyridyl ketoxime {} {} {} {} {} {} {} {} {} {} {} {} {LY} Methyl 3-pyridyl ketoxime {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Methyl 3-pyridyl ketoxime {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Methyl 3-pyridyl ketoxime {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Methyl 3-pyridyl ketoxime {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {}
Chemical Name Translation	1-(3-吡啶l)乙-1-酮肟
Wiswesser Line Notation	T6NJ CY1&UNQ
Beilstein Registry Number	0114168
InChIKey	MSRXORUOQNNOKN-RMKNXTFCSA-N
PubChem Substance ID	5708334
InChI	InChI=1S/C7H8N2O/c1-6(9-10)7-3-2-4-8-5-7/h2-5,10H,1H3/b9-6+
Canonical SMILES	C/C(C1=CN=CC=C1)=N\O

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安全信息

Warnings IRRITANT

RTECSOB5600000

TYPE OF TEST            : LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE       : Parenteral
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 1480 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   CBCCT* "Summary Tables of Biological Tests," National Research Council
   Chemical-Biological Coordination Center.  (National Academy of Science
   Library, 2101 Constitution Ave., NW, Washington, DC 20418)
   Volume(issue)/page/year: 7,690,1955

Storage condition 2-8°C {LY} 2-8°C {} {LY} 2-8°C {} {} {LY} 2-8°C {} {} {} {LY} 2-8°C {} {} {} {} {LY} 2-8°C {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {

药物吸收、分布、代谢与排泄(ADME)

Lipinski's Rule of 3

Lipinski's Rule of 5

H-bond Acceptors

Rotatable Bonds

H-bond Donors

LogP