| CAS Number | 2059971-51-4 |
| Catalog Number | AG01C01O |
| Chemical Name | tert-butyl N-[1,3-dihydroxy-1-(pyridin-3-yl)propan-2-yl]carbamate |
| IUPAC Name | tert-butyl N-(1,3-dihydroxy-1-pyridin-3-ylpropan-2-yl)carbamate |
| InChI | InChI=1S/C13H20N2O4/c1-13(2,3)19-12(18)15-10(8-16)11(17)9-5-4-6-14-7-9/h4-7,10-11,16-17H,8H2,1-3H3,(H,15,18) |
| InChI Key | JMZIPTNZXSFSBX-UHFFFAOYSA-N |
| MDL Number | MFCD30497777 |
| Molecular Formula | C13H20N2O4 |
| Molecular Weight | 268.3089 |
| SMILES | CC(OC(NC(C(C1=CN=CC=C1)O)CO)=O)(C)C |
| Synonyms | TERT-BUTYL N-[1,3-DIHYDROXY-1-(PYRIDIN-3-YL)PROPAN-2-YL]CARBAMATE,
2059971-51-4,
AKOS030741946,
|
| Complexity | 291 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 268.142g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 268.313g/mol |
| Monoisotopic Mass | 268.142g/mol |
| Rotatable Bond Count | 6 |
| Topological Polar Surface Area | 91.7A^2 |
| Undefined Atom Stereocenter Count | 2 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number