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Ropivacaine Impurity 72

CAT: 1299-RM-R162272-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:1299-RM-R162272-01Size:10 mg
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CAS Number
175888-75-2
Synonyms
N- (2,6-dimethylphenyl) -1-isopropylpiperidine-2-carboxamide
Molecular Formula
C17H26N2O
Molecular Weight
274.41
Target Alternative Name
Ropivacaine
Product Name Synonym
N- (2,6-dimethylphenyl) -1-isopropylpiperidine-2-carboxamide

Chemical Information

N-(2,6-Dimethylphenyl)-1-isopropylpiperidine-2-carboxamide
CAS Number175888-75-2
PubChem CID100937307
IUPAC NameN-(2,6-dimethylphenyl)-1-propan-2-ylpiperidine-2-carboxamide
Molecular FormulaC17H26N2O
Molecular Weight274.4
XLogP2.7
Topological Polar Surface Area32.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count3
Heavy Atom Count20
Formal Charge0
Complexity319
SMILES
CC1=C(C(=CC=C1)C)NC(=O)C2CCCCN2C(C)C
InChI
InChI=1S/C17H26N2O/c1-12(2)19-11-6-5-10-15(19)17(20)18-16-13(3)8-7-9-14(16)4/h7-9,12,15H,5-6,10-11H2,1-4H3,(H,18,20)
InChIKey
DLKZMUOUUWXTAZ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of N-(2,6-Dimethylphenyl)-1-isopropylpiperidine-2-carboxamide
CAS: 175888-75-2
CID: 100937307
Formula: C17H26N2O
MW: 274.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight274.4
XLogP32.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count3
Exact Mass274.204513457
Monoisotopic Mass274.204513457
Topological Polar Surface Area32.3 Ų
Heavy Atom Count20
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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