| CAS Number | 1824288-43-8 |
| Catalog Number | AG01BTYS |
| Chemical Name | tert-butyl N-{[2-(methylamino)pyridin-4-yl]methyl}carbamate |
| IUPAC Name | tert-butyl N-[[2-(methylamino)pyridin-4-yl]methyl]carbamate |
| InChI | InChI=1S/C12H19N3O2/c1-12(2,3)17-11(16)15-8-9-5-6-14-10(7-9)13-4/h5-7H,8H2,1-4H3,(H,13,14)(H,15,16) |
| InChI Key | NBKQGEVNGRACDN-UHFFFAOYSA-N |
| MDL Number | MFCD16293631 |
| Molecular Formula | C12H19N3O2 |
| Molecular Weight | 237.2982 |
| SMILES | CNC1=NC=CC(CNC(OC(C)(C)C)=O)=C1 |
| Synonyms | tert-butyl N-{[2-(methylamino)pyridin-4-yl]methyl}carbamate,
1824288-43-8,
AKOS034020454,
ZINC199724683,
Z2760930283,
|
| Complexity | 251 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 237.148g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 237.303g/mol |
| Monoisotopic Mass | 237.148g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 63.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.7 |
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Certificate of Analysis
Lot Number