| CAS Number | 1289156-46-2 |
| Catalog Number | AG00HRVG(AGN-PC-0WNQ4C) |
| Chemical Name | 5-Bromo-2-[2-(N,N-dimethylamino)ethoxy]-3-picoline |
| IUPAC Name | 2-(5-bromo-3-methylpyridin-2-yl)oxy-N,N-dimethylethanamine |
| InChI | InChI=1S/C10H15BrN2O/c1-8-6-9(11)7-12-10(8)14-5-4-13(2)3/h6-7H,4-5H2,1-3H3 |
| InChI Key | ISPHVKWMEVIZIA-UHFFFAOYSA-N |
| MDL Number | MFCD26091962 |
| Molecular Formula | C10H15BrN2O |
| Molecular Weight | 259.1429 |
| SMILES | CN(CCOc1ncc(cc1C)Br)C |
| Synonyms | 5-Bromo-2-[2-(N,N-dimethylamino)ethoxy]-3-picoline,
1289156-46-2,
ZINC97756684,
AKOS026672688,
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| Complexity | 166 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 258.037g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 259.147g/mol |
| Monoisotopic Mass | 258.037g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 25.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.3 |
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Certificate of Analysis
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