| CAS Number | 1809098-75-6 |
| Catalog Number | AG01DHEM |
| Chemical Name | 1-[6-(5-amino-2-methylphenoxy)pyridin-3-yl]ethan-1-one |
| IUPAC Name | 1-[6-(5-amino-2-methylphenoxy)pyridin-3-yl]ethanone |
| InChI | InChI=1S/C14H14N2O2/c1-9-3-5-12(15)7-13(9)18-14-6-4-11(8-16-14)10(2)17/h3-8H,15H2,1-2H3 |
| InChI Key | WIDJYEBNKPRZGT-UHFFFAOYSA-N |
| MDL Number | MFCD31652831 |
| Molecular Formula | C14H14N2O2 |
| Molecular Weight | 242.2732 |
| SMILES | CC(=O)c1ccc(Oc2cc(N)ccc2C)nc1 |
| Synonyms | 5-Acetyl-2-(2methyl-5-aminophenoxy) pyridine,
1809098-75-6,
CS-0059923,
1-(6-(5-Amino-2-methylphenoxy)pyridin-3-yl)ethan-1-one,
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| Complexity | 296 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 242.106g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 242.278g/mol |
| Monoisotopic Mass | 242.106g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 65.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.1 |
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Certificate of Analysis
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