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Ropivacaine Impurity 57

CAT: 1299-RM-R162257-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:1299-RM-R162257-01Size:10 mg
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CAS Number
84951-65-5
Synonyms
N- (2,6-dimethylphenyl) nicotinamide
Molecular Formula
C14H14N2O
Molecular Weight
226.28
Target Alternative Name
Ropivacaine
Product Name Synonym
N- (2,6-dimethylphenyl) nicotinamide

Chemical Information

N-(2,6-dimethylphenyl)nicotinamide
CAS Number84951-65-5
PubChem CID767628
IUPAC NameN-(2,6-dimethylphenyl)pyridine-3-carboxamide
Molecular FormulaC14H14N2O
Molecular Weight226.27
XLogP2.4
Topological Polar Surface Area42
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Heavy Atom Count17
Formal Charge0
Complexity257
SMILES
CC1=C(C(=CC=C1)C)NC(=O)C2=CN=CC=C2
InChI
InChI=1S/C14H14N2O/c1-10-5-3-6-11(2)13(10)16-14(17)12-7-4-8-15-9-12/h3-9H,1-2H3,(H,16,17)
InChIKey
JITBOTGCIMNEBT-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of N-(2,6-dimethylphenyl)nicotinamide
CAS: 84951-65-5
CID: 767628
Formula: C14H14N2O
MW: 226.27
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight226.27
XLogP32.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Exact Mass226.110613074
Monoisotopic Mass226.110613074
Topological Polar Surface Area42 Ų
Heavy Atom Count17
Formal Charge0
Complexity257
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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