| CAS Number | 1039865-46-7 |
| Catalog Number | AG019R3H |
| Chemical Name | 1-(4-Bromophenyl)-2-pyridin-2-ylethanamine |
| IUPAC Name | 1-(4-bromophenyl)-2-pyridin-2-ylethanamine |
| InChI | InChI=1S/C13H13BrN2/c14-11-6-4-10(5-7-11)13(15)9-12-3-1-2-8-16-12/h1-8,13H,9,15H2 |
| InChI Key | MGPBYHWAPBRAHN-UHFFFAOYSA-N |
| MDL Number | MFCD11188769 |
| Molecular Formula | C13H13BrN2 |
| Molecular Weight | 277.1597 |
| SMILES | NC(C1=CC=C(Br)C=C1)CC1=NC=CC=C1 |
| Synonyms | 1-(4-bromophenyl)-2-(pyridin-2-yl)ethan-1-amine,
1039865-46-7,
1-(4-bromophenyl)-2-pyridin-2-ylethanamine,
AC1Q50AA,
CTK5I7128,
NE41010,
EN300-88953,
|
| Complexity | 202 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 276.026g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 277.165g/mol |
| Monoisotopic Mass | 276.026g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 38.9A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.4 |
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Certificate of Analysis
Lot Number