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N, N-Diethylisonicotinamide

CAT: 0024-sc-486308Size: 10 gDry Ice: NoHazardous: No
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CAT#:0024-sc-486308Size:10 g
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CAS Number
530-40-5

Chemical Information

N,N-Diethylisonicotinamide
CAS Number530-40-5
PubChem CID10735
IUPAC NameN,N-diethylpyridine-4-carboxamide
Molecular FormulaC10H14N2O
Molecular Weight178.23
XLogP1
Topological Polar Surface Area33.2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count3
Heavy Atom Count13
Formal Charge0
Complexity160
SMILES
CCN(CC)C(=O)C1=CC=NC=C1
InChI
InChI=1S/C10H14N2O/c1-3-12(4-2)10(13)9-5-7-11-8-6-9/h5-8H,3-4H2,1-2H3
InChIKey
CDQAJSRQKGFYDY-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of N,N-Diethylisonicotinamide
CAS: 530-40-5
CID: 10735
Formula: C10H14N2O
MW: 178.23
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight178.23
XLogP31
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count3
Exact Mass178.110613074
Monoisotopic Mass178.110613074
Topological Polar Surface Area33.2 Ų
Heavy Atom Count13
Formal Charge0
Complexity160
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