| CAS Number | 84839-56-5 |
| Catalog Number | AG019G4L(AGN-PC-0UUHSV) |
| Chemical Name | tert-butyl4-(2-ethoxy-2-oxoethyl)-5,6-dihydropyridine-1(2H)-carboxylate-B28590 |
| IUPAC Name | tert-butyl 4-(2-ethoxy-2-oxoethyl)-3,6-dihydro-2H-pyridine-1-carboxylate |
| InChI | InChI=1S/C14H23NO4/c1-5-18-12(16)10-11-6-8-15(9-7-11)13(17)19-14(2,3)4/h6H,5,7-10H2,1-4H3 |
| InChI Key | JTXJOFSHWZCHKH-UHFFFAOYSA-N |
| MDL Number | MFCD24445166 |
| Molecular Formula | C14H23NO4 |
| Molecular Weight | 269.3367 |
| SMILES | CCOC(=O)CC1=CCN(CC1)C(=O)OC(C)(C)C |
| Synonyms | tert-butyl 4-(2-Ethoxy-2-oxoethyl)-5,6-dihydropyridine-1(2H)-carboxylate,
84839-56-5,
SCHEMBL5392226,
JTXJOFSHWZCHKH-UHFFFAOYSA-N,
ZINC34056993,
Tert-butyl 4-(ethoxycarbonylmethyl)-3,6-dihydro-2H-pyridine-1-carboxylate,
CS-W001767,
ethyl (1-t-butoxycarbonyl-1,2,5,6-tetrahydro-pyridin-4-yl)ethanoate,
(1-tert-butoxycarbonyl-1,2,5,6-tetrahydropyridin-4-yl)acetic acid ethyl ester,
tert-butyl4-(2-ethoxy-2-oxoethyl)-5,6-dihydropyridine-1(2H)-carboxylate-B28590,
CID9970303,
|
| Complexity | 368 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 269.163g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 269.341g/mol |
| Monoisotopic Mass | 269.163g/mol |
| Rotatable Bond Count | 6 |
| Topological Polar Surface Area | 55.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number