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Dalfampridine Related Compound A

CAT: 1596-AR-D06022-01Size: 50 UnitsDry Ice: NoHazardous: No
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CAT#:1596-AR-D06022-01Size:50 Units
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CAS Number
3535-75-9
Synonyms
4-Aminopyridine 1-oxide
Molecular Formula
C5H6N2O
Molecular Weight
110.11
API Name
Dalfampridine

Chemical Information

Pyridin-4-amine 1-oxide
CAS Number3535-75-9
PubChem CID19055
IUPAC Name1-hydroxypyridin-4-imine
Molecular FormulaC5H6N2O
Molecular Weight110.11
XLogP-0.1
Topological Polar Surface Area47.3
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count0
Heavy Atom Count8
Formal Charge0
Complexity144
SMILES
C1=CN(C=CC1=N)O
InChI
InChI=1S/C5H6N2O/c6-5-1-3-7(8)4-2-5/h1-4,6,8H
InChIKey
SJQWWHFNDOUAGY-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Pyridin-4-amine 1-oxide
CAS: 3535-75-9
CID: 19055
Formula: C5H6N2O
MW: 110.11
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight110.11
XLogP3-0.1
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count0
Exact Mass110.048012819
Monoisotopic Mass110.048012819
Topological Polar Surface Area47.3 Ų
Heavy Atom Count8
Formal Charge0
Complexity144
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes