3,4,5,6-Tetrahydro-5-oxo-2,6-naphthyridine-2(1H)-carboxylic Acid tert-Butyl Ester - CAS 1211594-91-0
Catalog: |
BB057561 |
Product Name: |
3,4,5,6-Tetrahydro-5-oxo-2,6-naphthyridine-2(1H)-carboxylic Acid tert-Butyl Ester |
CAS: |
1211594-91-0 |
Synonyms: |
tert-Butyl 3,4,5,6-Tetrahydro-5-oxo-2,6-naphthyridine-2(1H)-carboxylate; 3,4,5,6-Tetrahydro-5-oxo-2,6-naphthyridine-2(1H)-carboxylic Acid 1,1-Dimethylethyl Ester |
IUPAC Name: | tert-butyl 5-oxo-1,3,4,6-tetrahydro-2,6-naphthyridine-2-carboxylate |
Description: | 3,4,5,6-Tetrahydro-5-oxo-2,6-naphthyridine-2(1H)-carboxylic Acid tert-Butyl Ester is a protected ester of a Naphthyridinecarboxylic Acid derivative. |
Molecular Weight: | 250.29 |
Molecular Formula: | C13H18N2O3 |
Canonical SMILES: | CC(C)(C)OC(=O)N1CCC2=C(C1)C=CNC2=O |
InChI: | InChI=1S/C13H18N2O3/c1-13(2,3)18-12(17)15-7-5-10-9(8-15)4-6-14-11(10)16/h4,6H,5,7-8H2,1-3H3,(H,14,16) |
InChI Key: | GDIUITYQLKFYQJ-UHFFFAOYSA-N |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 |
Signal Word: | Warning |
Complexity: | 444 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 250.13174244 |
Formal Charge: | 0 |
Heavy Atom Count: | 18 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 250.13174244 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 58.6Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.5 |
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