| CAS Number | 31309-57-6 |
| Catalog Number | AG019VZ2(AGN-PC-0JVS98) |
| Chemical Name | 4-Bromo-N-(Pyridin-2-Ylmethyl)Aniline |
| IUPAC Name | 4-bromo-N-(pyridin-2-ylmethyl)aniline |
| InChI | InChI=1S/C12H11BrN2/c13-10-4-6-11(7-5-10)15-9-12-3-1-2-8-14-12/h1-8,15H,9H2 |
| InChI Key | VEBGCBOKYDSVHR-UHFFFAOYSA-N |
| MDL Number | MFCD01129734 |
| Molecular Formula | C12H11BrN2 |
| Molecular Weight | 263.1331 |
| SMILES | BrC1=CC=C(NCC2=NC=CC=C2)C=C1 |
| Synonyms | 4-bromo-N-(pyridin-2-ylmethyl)aniline,
31309-57-6,
AC1LEXZ3,
2-Pyridinemethanamine, N-(4-bromophenyl)-,
AC1Q24YZ,
Oprea1_225675,
CHEMBL1192763,
CTK5I7574,
ZINC183685,
STK232815,
AKOS000240606,
MCULE-1446418853,
NE30477,
EN300-49932,
CID743689,
ZINC00183685,
|
| Complexity | 179 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 262.011g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 263.138g/mol |
| Monoisotopic Mass | 262.011g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 24.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number