| CAS Number | 1796888-45-3 |
| Catalog Number | AG01BU8K(AGN-PC-0WOZEQ) |
| Chemical Name | methyl 4-methyl-3-{2-[(propan-2-yl)amino]propanamido}thiophene-2-carboxylate |
| IUPAC Name | methyl 4-methyl-3-[2-(propan-2-ylamino)propanoylamino]thiophene-2-carboxylate |
| InChI | InChI=1S/C13H20N2O3S/c1-7(2)14-9(4)12(16)15-10-8(3)6-19-11(10)13(17)18-5/h6-7,9,14H,1-5H3,(H,15,16) |
| InChI Key | MHGQFYHUUMZHET-UHFFFAOYSA-N |
| MDL Number | MFCD27665518 |
| Molecular Formula | C13H20N2O3S |
| Molecular Weight | 284.3745 |
| SMILES | COC(C1=C(NC(C(NC(C)C)C)=O)C(C)=CS1)=O |
| Synonyms | 1796888-45-3,
Methyl 3-(2-(isopropylamino)propanamido)-4-methylthiophene-2-carboxylate,
AKOS027447383,
Articaine Impurity E,
|
| Complexity | 336 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 284.119g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 284.374g/mol |
| Monoisotopic Mass | 284.119g/mol |
| Rotatable Bond Count | 6 |
| Topological Polar Surface Area | 95.7A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.7 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number