Bupivacaine EP Impurity A

CAT: 1596-AR-B02221-01Size: 50 UnitsDry Ice: NoHazardous: No

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CAT#:1596-AR-B02221-01Size:50 Units

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CAS Number

39627-98-0

Synonyms

N- (2,6-dimethylphenyl) picolinamide; 2',6'-Picolinoxylidide

Molecular Formula

C14H14N2O

Molecular Weight

226.28

API Name

Bupivacaine

Chemical Information

2',6'-Picolinoxylidide

CAS Number	39627-98-0
PubChem CID	3084749
IUPAC Name	N-(2,6-dimethylphenyl)pyridine-2-carboxamide
Molecular Formula	C14H14N2O
Molecular Weight	226.27
XLogP	2.7
Topological Polar Surface Area	42
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	2
Heavy Atom Count	17
Formal Charge	0
Complexity	257

SMILES

CC1=C(C(=CC=C1)C)NC(=O)C2=CC=CC=N2

InChI

InChI=1S/C14H14N2O/c1-10-6-5-7-11(2)13(10)16-14(17)12-8-3-4-9-15-12/h3-9H,1-2H3,(H,16,17)

InChIKey

SHZDEASIMRREIQ-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 39627-98-0

CID: 3084749

Formula: C14H14N2O

MW: 226.27

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	226.27
XLogP3	2.7
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	2
Exact Mass	226.110613074
Monoisotopic Mass	226.110613074
Topological Polar Surface Area	42 Å²
Heavy Atom Count	17
Formal Charge	0
Complexity	257
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

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