| CAS Number | 2138045-41-5 |
| Catalog Number | AG01EMM2 |
| Chemical Name | 5,6,7,8-tetrahydro-1,6-naphthyridin-4-ol dihydrochloride |
| IUPAC Name | 5,6,7,8-tetrahydro-1H-1,6-naphthyridin-4-one;dihydrochloride |
| InChI | InChI=1S/C8H10N2O.2ClH/c11-8-2-4-10-7-1-3-9-5-6(7)8;;/h2,4,9H,1,3,5H2,(H,10,11);2*1H |
| InChI Key | MKCGFPYRJXIBIC-UHFFFAOYSA-N |
| MDL Number | MFCD31558754 |
| Molecular Formula | C8H12Cl2N2O |
| Molecular Weight | 223.0997 |
| SMILES | Cl.Cl.OC1=C2C(CCNC2)=NC=C1 |
| Synonyms | AKOS034112636,
5,6,7,8-tetrahydro-1,6-naphthyridin-4-ol dihydrochloride,
2138045-41-5,
|
| Complexity | 253 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 3 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 222.033g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 4 |
| Isotope Atom Count | 0 |
| Molecular Weight | 223.097g/mol |
| Monoisotopic Mass | 222.033g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 41.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
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