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Dofetilide Impurity 5

CAT: 1596-AR-D02105-02Size: 25 UnitsDry Ice: NoHazardous: No
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CAT#:1596-AR-D02105-02Size:25 Units
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
115256-16-1
Synonyms
N- (4- (2- (methylamino) ethyl) phenyl) methanesulfonamide;2- (4-Methanesulfonamido) -N-methylethylamine; UK 67148
Molecular Formula
C10H16N2O2S
Molecular Weight
228.31
API Name
Dofetilide

Chemical Information

N-Methyl-4-methanesulphonamidophenethylamine
CAS Number115256-16-1
PubChem CID10036749
IUPAC NameN-[4-[2-(methylamino)ethyl]phenyl]methanesulfonamide
Molecular FormulaC10H16N2O2S
Molecular Weight228.31
XLogP0.7
Topological Polar Surface Area66.6
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count5
Heavy Atom Count15
Formal Charge0
Complexity264
SMILES
CNCCC1=CC=C(C=C1)NS(=O)(=O)C
InChI
InChI=1S/C10H16N2O2S/c1-11-8-7-9-3-5-10(6-4-9)12-15(2,13)14/h3-6,11-12H,7-8H2,1-2H3
InChIKey
MSZBIHITHNHHTL-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of N-Methyl-4-methanesulphonamidophenethylamine
CAS: 115256-16-1
CID: 10036749
Formula: C10H16N2O2S
MW: 228.31
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight228.31
XLogP30.7
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count5
Exact Mass228.09324893
Monoisotopic Mass228.09324893
Topological Polar Surface Area66.6 Ų
Heavy Atom Count15
Formal Charge0
Complexity264
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

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