| CAS Number | 885270-18-8 |
| Catalog Number | AG00480W(AGN-PC-0VM4P4) |
| Chemical Name | tert-Buty loctahydro-2,7-naphthyridine-2(1H)-carboxylate |
| IUPAC Name | tert-butyl 3,4,4a,5,6,7,8,8a-octahydro-1H-2,7-naphthyridine-2-carboxylate |
| InChI | InChI=1S/C13H24N2O2/c1-13(2,3)17-12(16)15-7-5-10-4-6-14-8-11(10)9-15/h10-11,14H,4-9H2,1-3H3 |
| InChI Key | XMNLSMUWYYKSRJ-UHFFFAOYSA-N |
| MDL Number | MFCD08234634 |
| Molecular Formula | C13H24N2O2 |
| Molecular Weight | 240.3419 |
| SMILES | C(C)(C)(C)OC(=O)N1CC2CNCCC2CC1 |
| Synonyms | 885270-18-8,
TERT-BUTYL OCTAHYDRO-2,7-NAPHTHYRIDINE-2(1H)-CARBOXYLATE,
2,7-Naphthyridine-2(1H)-carboxylicacid, octahydro-, 1,1-dimethylethyl ester,
SCHEMBL14971262,
CTK5G0141,
DTXSID10700600,
XMNLSMUWYYKSRJ-UHFFFAOYSA-N,
MFCD08234634,
AKOS023397780,
AB43606,
tert-Butyl octahydro-2,7-naphthyridine-2-(1H)-carboxylate,
Tert-butyloctahydro-2,7-naphthyridine-2 -carboxylate,
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| Complexity | 286 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 240.184g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 240.347g/mol |
| Monoisotopic Mass | 240.184g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 41.6A^2 |
| Undefined Atom Stereocenter Count | 2 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.5 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number