| CAS Number | 1338990-46-7 |
| Catalog Number | AG01B2J3 |
| Chemical Name | tert-Butyl 2-aminoisonicotinate |
| IUPAC Name | tert-butyl 2-aminopyridine-4-carboxylate |
| InChI | InChI=1S/C10H14N2O2/c1-10(2,3)14-9(13)7-4-5-12-8(11)6-7/h4-6H,1-3H3,(H2,11,12) |
| InChI Key | LUEKUBTVMCUQNV-UHFFFAOYSA-N |
| MDL Number | MFCD20307445 |
| Molecular Formula | C10H14N2O2 |
| Molecular Weight | 194.2304 |
| SMILES | CC(OC(C1=CC(N)=NC=C1)=O)(C)C |
| Synonyms | tert-butyl 2-aminoisonicotinate,
1338990-46-7,
tert-butyl 2-aminopyridine-4-carboxylate,
ZINC70623570,
AKOS013719958,
F2147-2096,
Z2507870663,
|
| Complexity | 211 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 194.106g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 194.234g/mol |
| Monoisotopic Mass | 194.106g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 65.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.3 |
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Certificate of Analysis
Lot Number