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Articaine Impurity 25

CAT: 1299-RM-A181025-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:1299-RM-A181025-01Size:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1779088-71-9
Synonyms
Methyl 4-methyl-3-propionamidothiophene-2-carboxylate
Molecular Formula
C10H13NO3S
Molecular Weight
227.28
Target Alternative Name
Articaine
Product Name Synonym
Methyl 4-methyl-3-propionamidothiophene-2-carboxylate

Chemical Information

Methyl 4-methyl-3-propionamidothiophene-2-carboxylate
CAS Number1779088-71-9
PubChem CID99623467
IUPAC Namemethyl 4-methyl-3-(propanoylamino)thiophene-2-carboxylate
Molecular FormulaC10H13NO3S
Molecular Weight227.28
XLogP2.4
Topological Polar Surface Area83.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count4
Heavy Atom Count15
Formal Charge0
Complexity257
SMILES
CCC(=O)NC1=C(SC=C1C)C(=O)OC
InChI
InChI=1S/C10H13NO3S/c1-4-7(12)11-8-6(2)5-15-9(8)10(13)14-3/h5H,4H2,1-3H3,(H,11,12)
InChIKey
IVOKTNAFZOGPRS-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Methyl 4-methyl-3-propionamidothiophene-2-carboxylate
CAS: 1779088-71-9
CID: 99623467
Formula: C10H13NO3S
MW: 227.28
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight227.28
XLogP32.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count4
Exact Mass227.06161445
Monoisotopic Mass227.06161445
Topological Polar Surface Area83.6 Ų
Heavy Atom Count15
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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Alternative Products

CatalogName
AR-A07148-01Articaine Impurity 1
AR-A02609-01Articaine EP Impurity I
AR-A07151-01Articaine EP Impurity B HCl (Articaine Acid HCl)
AR-A02610-01Articaine EP Impurity J
AR-A07146-01Articaine Impurity A (Acetamidoarticaine HCl)
AR-A02603-01Articaine EP Impurity C HCl (Articaine Isopropyl Ester HCl)
AR-A02606-01Articaine EP Impurity F HCl (Articaine Acid Propionamide HCl)
AR-A07155-01Articaine EP Impurity H HCl
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