5,7-Dimethyl-1,2,3,4-tetrahydro-1,8-naphthyridine - CAS 65541-95-9
Catalog: |
BB063084 |
Product Name: |
5,7-Dimethyl-1,2,3,4-tetrahydro-1,8-naphthyridine |
CAS: |
65541-95-9 |
Synonyms: |
1,2,3,4-Tetrahydro-5,7-dimethyl-1,8-naphthyridine |
IUPAC Name: | 5,7-dimethyl-1,2,3,4-tetrahydro-1,8-naphthyridine |
Description: | 5,7-Dimethyl-1,2,3,4-tetrahydro-1,8-naphthyridine is used in the synthetic preparation of diffusion-controlled chain-breaking antioxidants 6-Amino-3-pyridinols. |
Molecular Weight: | 162.23 |
Molecular Formula: | C10H14N2 |
Canonical SMILES: | CC1=CC(=NC2=C1CCCN2)C |
InChI: | InChI=1S/C10H14N2/c1-7-6-8(2)12-10-9(7)4-3-5-11-10/h6H,3-5H2,1-2H3,(H,11,12) |
InChI Key: | DXIRHDQUVVQLGI-UHFFFAOYSA-N |
References: | Wijtmans, M.; et al. Angew. Chem. Int. Ed., 42, 4370 (2003). |
Complexity: | 158 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 162.115698455 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 162.115698455 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 24.9Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.3 |
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