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CAT: 0013-GTR19240195-01Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19240195-01Size:50 mg
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Description
Spin trap
CAS Number
66893-81-0
Field of Research
Cell Biology
Purity
99%
Form
Powder
Solubility
Soluble in DMSO (up to 25 mg/ml) or in Water (>25 mg/ml)
Molecular Formula
C10H14N2O2
Molecular Weight
194.2
Storage Conditions
-20°C
Notes
For research use only.
Other Product Names
α- (4-Pyridyl N-oxide) -N-tert-butylnitrone

Chemical Information

alpha-(4-Pyridyl-1-oxide)-N-tert-butylnitrone

structure given in first source

CAS Number66893-81-0
PubChem CID135532295
IUPAC NameN-tert-butyl-1-(1-oxidopyridin-1-ium-4-yl)methanimine oxide
Molecular FormulaC10H14N2O2
Molecular Weight194.23
XLogP-0.2
Topological Polar Surface Area54.2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Heavy Atom Count14
Formal Charge0
Complexity213
SMILES
CC(C)(C)/[N+](=C/C1=CC=[N+](C=C1)[O-])/[O-]
InChI
InChI=1S/C10H14N2O2/c1-10(2,3)12(14)8-9-4-6-11(13)7-5-9/h4-8H,1-3H3/b12-8-
InChIKey
RNRMWTCECDHNQU-WQLSENKSSA-N
Chemical Structure
2D Structure
2D structure of alpha-(4-Pyridyl-1-oxide)-N-tert-butylnitrone
CAS: 66893-81-0
CID: 135532295
Formula: C10H14N2O2
MW: 194.23
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight194.23
XLogP3-0.2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Exact Mass194.105527694
Monoisotopic Mass194.105527694
Topological Polar Surface Area54.2 Ų
Heavy Atom Count14
Formal Charge0
Complexity213
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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