| CAS Number | 166110-81-2 |
| Catalog Number | AG01AZJS(AGN-PC-0JW3SM) |
| Chemical Name | 4-Bromo-N-[(pyridin-4-yl)methyl]aniline |
| IUPAC Name | 4-bromo-N-(pyridin-4-ylmethyl)aniline |
| InChI | InChI=1S/C12H11BrN2/c13-11-1-3-12(4-2-11)15-9-10-5-7-14-8-6-10/h1-8,15H,9H2 |
| InChI Key | VQAZNDNUTPWZEX-UHFFFAOYSA-N |
| MDL Number | MFCD00591714 |
| Molecular Formula | C12H11BrN2 |
| Molecular Weight | 263.1331 |
| SMILES | BrC1=CC=C(NCC2=CC=NC=C2)C=C1 |
| Synonyms | 4-bromo-N-(pyridin-4-ylmethyl)aniline,
4-bromo-N-[(pyridin-4-yl)methyl]aniline,
166110-81-2,
AC1LG65E,
Oprea1_111429,
SCHEMBL5998651,
ZINC241632,
AKOS000240698,
Z57461111,
CID765778,
ZINC00241632,
|
| Complexity | 173 |
| 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 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number