| CAS Number | 1249621-29-1 |
| Catalog Number | AG019YMW(AGN-PC-0WO9YB) |
| Chemical Name | Methyl 2-[(5-bromopyridin-2-yl)(methyl)amino]acetate |
| IUPAC Name | methyl 2-[(5-bromopyridin-2-yl)-methylamino]acetate |
| InChI | InChI=1S/C9H11BrN2O2/c1-12(6-9(13)14-2)8-4-3-7(10)5-11-8/h3-5H,6H2,1-2H3 |
| InChI Key | JMIRMVNRITVCMZ-UHFFFAOYSA-N |
| MDL Number | MFCD16161353 |
| Molecular Formula | C9H11BrN2O2 |
| Molecular Weight | 259.0998 |
| SMILES | COC(CN(C1=NC=C(Br)C=C1)C)=O |
| Synonyms | methyl 2-[(5-bromopyridin-2-yl)(methyl)amino]acetate,
1249621-29-1,
ZINC50069762,
AKOS011280508,
MCULE-2365484489,
NE20145,
Z1374884568,
|
| Complexity | 201 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 258g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 259.103g/mol |
| Monoisotopic Mass | 258g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 42.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.9 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number