| CAS Number | 1250999-83-7 |
| Catalog Number | AG00HHYG(AGN-PC-0WG4RS) |
| Chemical Name | tert-Butyl 5-(hydroxymethyl)-3,4-dihydro-2,7-naphthyridine-2(1H)-carboxylate |
| IUPAC Name | tert-butyl 5-(hydroxymethyl)-3,4-dihydro-1H-2,7-naphthyridine-2-carboxylate |
| InChI | InChI=1S/C14H20N2O3/c1-14(2,3)19-13(18)16-5-4-12-10(8-16)6-15-7-11(12)9-17/h6-7,17H,4-5,8-9H2,1-3H3 |
| InChI Key | GGPPXWMOQYWGJD-UHFFFAOYSA-N |
| MDL Number | MFCD18792223 |
| Molecular Formula | C14H20N2O3 |
| Molecular Weight | 264.3202 |
| SMILES | OCC1=C2CCN(CC2=CN=C1)C(=O)OC(C)(C)C |
| Synonyms | tert-Butyl 5-(hydroxymethyl)-3,4-dihydro-2,7-naphthyridine-2(1H)-carboxylate,
1250999-83-7,
ZINC95698548,
CS-0037040,
|
| Complexity | 327 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 264.147g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 264.325g/mol |
| Monoisotopic Mass | 264.147g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 62.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.7 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number