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Ropivacaine Impurity 74

CAT: 1299-RM-R162274-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:1299-RM-R162274-01Size:10 mg
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CAS Number
2549198-16-3
Synonyms
N- (2,6-dimethylphenyl) -1-formylpiperidine-2-carboxamide
Molecular Formula
C15H20N2O2
Molecular Weight
260.34
Target Alternative Name
Ropivacaine
Product Name Synonym
N- (2,6-dimethylphenyl) -1-formylpiperidine-2-carboxamide

Chemical Information

N-(2,6-Dimethylphenyl)-1-formylpiperidine-2-carboxamide
CAS Number2549198-16-3
PubChem CID163891671
IUPAC NameN-(2,6-dimethylphenyl)-1-formylpiperidine-2-carboxamide
Molecular FormulaC15H20N2O2
Molecular Weight260.33
XLogP2.2
Topological Polar Surface Area49.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Heavy Atom Count19
Formal Charge0
Complexity322
SMILES
CC1=C(C(=CC=C1)C)NC(=O)C2CCCCN2C=O
InChI
InChI=1S/C15H20N2O2/c1-11-6-5-7-12(2)14(11)16-15(19)13-8-3-4-9-17(13)10-18/h5-7,10,13H,3-4,8-9H2,1-2H3,(H,16,19)
InChIKey
QCBCAWVKPKVFTE-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of N-(2,6-Dimethylphenyl)-1-formylpiperidine-2-carboxamide
CAS: 2549198-16-3
CID: 163891671
Formula: C15H20N2O2
MW: 260.33
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight260.33
XLogP32.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Exact Mass260.152477885
Monoisotopic Mass260.152477885
Topological Polar Surface Area49.4 Ų
Heavy Atom Count19
Formal Charge0
Complexity322
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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