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Bupivacaine Impurity 12

CAT: 1299-RM-B162212-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:1299-RM-B162212-01Size:10 mg
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CAS Number
2125994-25-2
Synonyms
1- (sec-butyl) -N- (2,6-dimethylphenyl) piperidine-2-carboxamide
Molecular Formula
C18H28N2O
Molecular Weight
288.43
Target Alternative Name
Bupivacaine
Product Name Synonym
1- (sec-butyl) -N- (2,6-dimethylphenyl) piperidine-2-carboxamide

Chemical Information

Bupivacaine impurity 12
CAS Number2125994-25-2
PubChem CID170992831
IUPAC Name1-butan-2-yl-N-(2,6-dimethylphenyl)piperidine-2-carboxamide
Molecular FormulaC18H28N2O
Molecular Weight288.4
XLogP3.3
Topological Polar Surface Area32.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count4
Heavy Atom Count21
Formal Charge0
Complexity334
SMILES
CCC(C)N1CCCCC1C(=O)NC2=C(C=CC=C2C)C
InChI
InChI=1S/C18H28N2O/c1-5-15(4)20-12-7-6-11-16(20)18(21)19-17-13(2)9-8-10-14(17)3/h8-10,15-16H,5-7,11-12H2,1-4H3,(H,19,21)
InChIKey
RTDIJAHGJUZJCJ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Bupivacaine impurity 12
CAS: 2125994-25-2
CID: 170992831
Formula: C18H28N2O
MW: 288.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight288.4
XLogP33.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count4
Exact Mass288.220163521
Monoisotopic Mass288.220163521
Topological Polar Surface Area32.3 Ų
Heavy Atom Count21
Formal Charge0
Complexity334
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count2
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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