| CAS Number | 2172791-72-7 |
| Catalog Number | AG01FTZ1(AGN-PC-3H60E3) |
| Chemical Name | Cis-1-Methyloctahydro-1,6-Naphthyridin-2(1H)-One |
| IUPAC Name | (4aS,8aR)-1-methyl-3,4,4a,5,6,7,8,8a-octahydro-1,6-naphthyridin-2-one |
| InChI | InChI=1S/C9H16N2O/c1-11-8-4-5-10-6-7(8)2-3-9(11)12/h7-8,10H,2-6H2,1H3/t7-,8+/m0/s1 |
| InChI Key | CXOXGMBPBCDYNB-JGVFFNPUSA-N |
| MDL Number | MFCD30471880 |
| Molecular Formula | C9H16N2O |
| Molecular Weight | 168.2361 |
| SMILES | O=C1CC[C@@H]2[C@H](N1C)CCNC2.O=C1CC[C@H]2[C@@H](N1C)CCNC2 |
| Synonyms | cis-1-Methyloctahydro-1,6-naphthyridin-2(1H)-one,
1821805-31-5,
ZINC161633848,
2172791-72-7,
|
| Complexity | 193 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 2 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 168.126263g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 168.24g/mol |
| Monoisotopic Mass | 168.126263g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 32.3Ų |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -0.2 |
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Certificate of Analysis
Lot Number