| CAS Number | 666721-08-0 |
| Catalog Number | AG00IS5J(AGN-PC-0TLIQ3) |
| Chemical Name | Methyl 6-(bis[(tert-butoxy)carbonyl]amino)pyridine-3-carboxylate |
| IUPAC Name | methyl 6-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]pyridine-3-carboxylate |
| InChI | InChI=1S/C17H24N2O6/c1-16(2,3)24-14(21)19(15(22)25-17(4,5)6)12-9-8-11(10-18-12)13(20)23-7/h8-10H,1-7H3 |
| InChI Key | UIQQEFDORBBOKS-UHFFFAOYSA-N |
| MDL Number | MFCD18904309 |
| Molecular Formula | C17H24N2O6 |
| Molecular Weight | 352.3823 |
| SMILES | O=C(OC(C)(C)C)N(C1(=NC=C(C(=O)OC)C=C1))C(=O)OC(C)(C)C |
| Synonyms | 666721-08-0,
methyl 6-{bis[(tert-butoxy)carbonyl]amino}pyridine-3-carboxylate,
Methyl 6-{bis[(tert-butoxy)carbonyl]-amino}pyridine-3-carboxylate,
SCHEMBL6882614,
CTK6J0195,
UIQQEFDORBBOKS-UHFFFAOYSA-N,
KS-000023SF,
ZX-RL002871,
MFCD18904309,
ZINC66323415,
AKOS015838031,
CF-0752,
RP16904,
OR303641,
TR-072488,
methylbistertbutoxycarbonylaminopyridinecarboxylate,
Methyl 6-[bis(tert-butoxycarbonyl)amino]nicotinate,
methyl 6-[bis(tert-butoxycarbonyl)amino]pyridine-3-carboxylate,
|
| Complexity | 478 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 352.163g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 25 |
| Hydrogen Bond Acceptor Count | 7 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 352.387g/mol |
| Monoisotopic Mass | 352.163g/mol |
| Rotatable Bond Count | 7 |
| Topological Polar Surface Area | 95A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number