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Articaine Impurity 18

CAT: 1299-RM-A181018-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:1299-RM-A181018-01Size:10 mg
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CAS Number
190375-16-7
Synonyms
Isopropyl 3-amino-4-methylthiophene-2-carboxylate
Molecular Formula
C9H13NO2S
Molecular Weight
199.27
Target Alternative Name
Articaine
Product Name Synonym
Isopropyl 3-amino-4-methylthiophene-2-carboxylate

Chemical Information

Isopropyl 3-amino-4-methylthiophene-2-carboxylate
CAS Number190375-16-7
PubChem CID45089522
IUPAC Namepropan-2-yl 3-amino-4-methylthiophene-2-carboxylate
Molecular FormulaC9H13NO2S
Molecular Weight199.27
XLogP2.8
Topological Polar Surface Area80.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Heavy Atom Count13
Formal Charge0
Complexity196
SMILES
CC1=CSC(=C1N)C(=O)OC(C)C
InChI
InChI=1S/C9H13NO2S/c1-5(2)12-9(11)8-7(10)6(3)4-13-8/h4-5H,10H2,1-3H3
InChIKey
ZXMQWAFNUZEZIH-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Isopropyl 3-amino-4-methylthiophene-2-carboxylate
CAS: 190375-16-7
CID: 45089522
Formula: C9H13NO2S
MW: 199.27
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight199.27
XLogP32.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Exact Mass199.06669983
Monoisotopic Mass199.06669983
Topological Polar Surface Area80.6 Ų
Heavy Atom Count13
Formal Charge0
Complexity196
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