| CAS Number | 169280-82-4 |
| Catalog Number | AG00ABYI(AGN-PC-0Q9FW8) |
| Chemical Name | Ethyl 6-((tert-butoxycarbonyl)amino)nicotinate |
| IUPAC Name | ethyl 6-[(2-methylpropan-2-yl)oxycarbonylamino]pyridine-3-carboxylate |
| InChI | InChI=1S/C13H18N2O4/c1-5-18-11(16)9-6-7-10(14-8-9)15-12(17)19-13(2,3)4/h6-8H,5H2,1-4H3,(H,14,15,17) |
| InChI Key | MCQWEDNIHBKKJY-UHFFFAOYSA-N |
| MDL Number | MFCD23103501 |
| Molecular Formula | C13H18N2O4 |
| Molecular Weight | 266.2930 |
| SMILES | O=C(OC(C)(C)C)NC1(=NC=C(C(=O)OCC)C=C1) |
| Synonyms | 169280-82-4,
ethyl 6-{[(tert-butoxy)carbonyl]amino}pyridine-3-carboxylate,
Ethyl 6-((tert-butoxycarbonyl)amino)nicotinate,
Ethyl 6-([(tert-butoxy)carbonyl]amino)pyridine-3-carboxylate,
ethyl 6-(tert-butoxycarbonylamino)nicotinate,
SCHEMBL1891463,
MCQWEDNIHBKKJY-UHFFFAOYSA-N,
KS-00002B9S,
MFCD23103501,
ZINC91294583,
AKOS015996963,
SS-4577,
ethyl 6-(tert-butyloxycarbonylamino)nicotinate,
6-tert-Butoxycarbonylamino-nicotinic acid ethyl ester,
Ethyl 6-{[(tert-butoxy)carbonyl]-amino}pyridine-3-carboxylate,
ethyl 6-(tert-butoxycarbonyl)nicotinate,
|
| Complexity | 325 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 266.127g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 266.297g/mol |
| Monoisotopic Mass | 266.127g/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
Certificate of Analysis
Lot Number