| CAS Number | 1868106-31-3 |
| Catalog Number | AG01DI60 |
| Chemical Name | tert-butyl 2-(hydroxymethyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carboxylate |
| IUPAC Name | 5,6,7,8-tetrahydro-1,6-naphthyridin-2-ylmethanol |
| InChI | InChI=1S/C9H12N2O/c12-6-8-2-1-7-5-10-4-3-9(7)11-8/h1-2,10,12H,3-6H2 |
| InChI Key | IFMHSDZUDAPKHB-UHFFFAOYSA-N |
| MDL Number | MFCD28992190 |
| Molecular Formula | C14H20N2O3 |
| Molecular Weight | 264.3202 |
| SMILES | OCC1=NC=2CCN(CC2C=C1)C(=O)OC(C)(C)C |
| Synonyms | 1868106-31-3,
Tert-Butyl 2-(Hydroxymethyl)-7,8-Dihydro-1,6-Naphthyridine-6(5H)-Carboxylate,
MB10673,
(5,6,7,8-TETRAHYDRO-1,6-NAPHTHYRIDIN-2-YL)METHANOL,
1194376-48-1,
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| Complexity | 152 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 164.094963g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 164.2g/mol |
| Monoisotopic Mass | 164.094963g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 45.2Ų |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -0.6 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number