| CAS Number | 214831-64-8 |
| Catalog Number | AG01BD2E(AGN-PC-04370M) |
| Chemical Name | 5-bromo-N-(2-methoxyethyl)-N-methylpyridin-2-amine |
| IUPAC Name | 5-bromo-N-(2-methoxyethyl)-N-methylpyridin-2-amine |
| InChI | InChI=1S/C9H13BrN2O/c1-12(5-6-13-2)9-4-3-8(10)7-11-9/h3-4,7H,5-6H2,1-2H3 |
| InChI Key | CDKDPQWKJKDJCB-UHFFFAOYSA-N |
| MDL Number | MFCD14664848 |
| Molecular Formula | C9H13BrN2O |
| Molecular Weight | 245.1163 |
| SMILES | COCCN(C1=NC=C(Br)C=C1)C |
| Synonyms | 5-bromo-N-(2-methoxyethyl)-N-methylpyridin-2-amine,
214831-64-8,
(5-bromopyridin-2-yl)-(2-methoxyethyl)methylamine,
SCHEMBL5253357,
ZINC42461061,
AKOS010688590,
MCULE-4056712653,
NE45443,
Z1247216563,
|
| Complexity | 146 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 244.021g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 245.12g/mol |
| Monoisotopic Mass | 244.021g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 25.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.9 |
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Certificate of Analysis
Lot Number