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Ropivacaine Impurity 64

CAT: 1299-RM-R162264-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:1299-RM-R162264-01Size:10 mg
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CAS Number
1543937-58-1
Synonyms
Methyl 1-picolinoylpiperidine-2-carboxylate
Molecular Formula
C13H16N2O3
Molecular Weight
248.28
Target Alternative Name
Ropivacaine
Product Name Synonym
Methyl 1-picolinoylpiperidine-2-carboxylate

Chemical Information

Methyl 1-picolinoylpiperidine-2-carboxylate
CAS Number1543937-58-1
PubChem CID113220753
IUPAC Namemethyl 1-(pyridine-2-carbonyl)piperidine-2-carboxylate
Molecular FormulaC13H16N2O3
Molecular Weight248.28
XLogP1.4
Topological Polar Surface Area59.5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Heavy Atom Count18
Formal Charge0
Complexity319
SMILES
COC(=O)C1CCCCN1C(=O)C2=CC=CC=N2
InChI
InChI=1S/C13H16N2O3/c1-18-13(17)11-7-3-5-9-15(11)12(16)10-6-2-4-8-14-10/h2,4,6,8,11H,3,5,7,9H2,1H3
InChIKey
UPSCEDDYFYCDDF-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Methyl 1-picolinoylpiperidine-2-carboxylate
CAS: 1543937-58-1
CID: 113220753
Formula: C13H16N2O3
MW: 248.28
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight248.28
XLogP31.4
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Exact Mass248.11609238
Monoisotopic Mass248.11609238
Topological Polar Surface Area59.5 Ų
Heavy Atom Count18
Formal Charge0
Complexity319
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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