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Articaine Impurity 11

CAT: 1299-RM-A181011-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:1299-RM-A181011-01Size:10 mg
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CAS Number
1265892-01-0
Synonyms
3- (3- (2- ((tetrahydro-2H-pyran-2-yl) oxy) ethyl) ureido) thiophene-2-carboxylic acid
Molecular Formula
C13H18N2O5S
Molecular Weight
314.36
Target Alternative Name
Articaine
Product Name Synonym
3- (3- (2- ((tetrahydro-2H-pyran-2-yl) oxy) ethyl) ureido) thiophene-2-carboxylic acid

Chemical Information

3-[[[[2-[(Tetrahydro-2H-pyran-2-yl)oxy]ethyl]amino]carbonyl]amino]-2-thiophenecarboxylic Acid
CAS Number1265892-01-0
PubChem CID53397484
IUPAC Name3-[2-(oxan-2-yloxy)ethylcarbamoylamino]thiophene-2-carboxylic acid
Molecular FormulaC13H18N2O5S
Molecular Weight314.36
XLogP1.7
Topological Polar Surface Area125
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count6
Rotatable Bond Count6
Heavy Atom Count21
Formal Charge0
Complexity368
SMILES
C1CCOC(C1)OCCNC(=O)NC2=C(SC=C2)C(=O)O
InChI
InChI=1S/C13H18N2O5S/c16-12(17)11-9(4-8-21-11)15-13(18)14-5-7-20-10-3-1-2-6-19-10/h4,8,10H,1-3,5-7H2,(H,16,17)(H2,14,15,18)
InChIKey
WFEBOBZHCYLTEZ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 3-[[[[2-[(Tetrahydro-2H-pyran-2-yl)oxy]ethyl]amino]carbonyl]amino]-2-thiophenecarboxylic Acid
CAS: 1265892-01-0
CID: 53397484
Formula: C13H18N2O5S
MW: 314.36
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight314.36
XLogP31.7
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count6
Rotatable Bond Count6
Exact Mass314.09364285
Monoisotopic Mass314.09364285
Topological Polar Surface Area125 Ų
Heavy Atom Count21
Formal Charge0
Complexity368
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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