| CAS Number | 936801-42-2 |
| Catalog Number | AG019EWI(AGN-PC-0WG47Z) |
| Chemical Name | Ethyl 5-((tert-butoxycarbonyl)amino)-6-methylnicotinate |
| IUPAC Name | ethyl 6-methyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]pyridine-3-carboxylate |
| InChI | InChI=1S/C14H20N2O4/c1-6-19-12(17)10-7-11(9(2)15-8-10)16-13(18)20-14(3,4)5/h7-8H,6H2,1-5H3,(H,16,18) |
| InChI Key | ZDLRWEQOGCCJDF-UHFFFAOYSA-N |
| MDL Number | MFCD18256584 |
| Molecular Formula | C14H20N2O4 |
| Molecular Weight | 280.3196 |
| SMILES | CCOC(=O)c1cnc(C)c(NC(=O)OC(C)(C)C)c1 |
| Synonyms | 936801-42-2,
Ethyl 5-((tert-butoxycarbonyl)amino)-6-methylnicotinate,
ETHYL 5-([(TERT-BUTOXY)CARBONYL]AMINO)-6-METHYLPYRIDINE-3-CARBOXYLATE,
ethyl 6-methyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]pyridine-3-carboxylate,
SCHEMBL4726039,
MFCD18256584,
ZINC166220625,
TZ000730,
CS-0037946,
Ethyl 5-([(t-butoxy)carbonyl]amino)-6-methylpyridine-3-carboxylate,
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| Complexity | 352 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 280.142g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 20 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 280.324g/mol |
| Monoisotopic Mass | 280.142g/mol |
| Rotatable Bond Count | 6 |
| Topological Polar Surface Area | 77.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number