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2',6'-Picolinoxylidide

CAT: 0572-TRC-P437240-500MGSize: 500 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-P437240-500MGSize:500 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
39627-98-0
Synonyms
Bupivacaine Hydrochloride Imp. A (EP); Bupivacaine Imp. A (EP); Mepivacaine Hydrochloride Imp. C (EP); Mepivacaine Imp. C (EP); N-(2,6-Dimethylphenyl)pyridine-2-carboxamide; Bupivacaine Hydrochloride Impurity A; Mepivacaine Hydrochloride Impurity C; Bupivacaine Impurity A; Mepivacaine Impurity C
Hazard Statement
Not a hazardous substance according to GHS.
Purity
>95% (HPLC)
Smiles
Cc1cccc(C)c1NC(=O)c2ccccn2
Molecular Formula
C14 H14 N2 O
Molecular Weight
226.27
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)
Additionnal Information
IUPAC name: N-(2,6-dimethylphenyl)pyridine-2-carboxamide
Shipping Conditions
Room Temperature
Storage Conditions
+4°C

Chemical Information

2',6'-Picolinoxylidide
CAS Number39627-98-0
PubChem CID3084749
IUPAC NameN-(2,6-dimethylphenyl)pyridine-2-carboxamide
Molecular FormulaC14H14N2O
Molecular Weight226.27
XLogP2.7
Topological Polar Surface Area42
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Heavy Atom Count17
Formal Charge0
Complexity257
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
2D structure of 2',6'-Picolinoxylidide
CAS: 39627-98-0
CID: 3084749
Formula: C14H14N2O
MW: 226.27
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight226.27
XLogP32.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Exact Mass226.110613074
Monoisotopic Mass226.110613074
Topological Polar Surface Area42 Ų
Heavy Atom Count17
Formal Charge0
Complexity257
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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