| CAS Number | 1041604-47-0 |
| Catalog Number | AG01B8F0 |
| Chemical Name | 5-bromo-N-[2-(pyridin-2-yl)ethyl]pyridin-2-amine |
| IUPAC Name | 5-bromo-N-(2-pyridin-2-ylethyl)pyridin-2-amine |
| InChI | InChI=1S/C12H12BrN3/c13-10-4-5-12(16-9-10)15-8-6-11-3-1-2-7-14-11/h1-5,7,9H,6,8H2,(H,15,16) |
| InChI Key | ISDQDQHXCBPKJY-UHFFFAOYSA-N |
| MDL Number | MFCD11122303 |
| Molecular Formula | C12H12BrN3 |
| Molecular Weight | 278.1478 |
| SMILES | BrC1=CN=C(NCCC2=NC=CC=C2)C=C1 |
| Synonyms | 5-bromo-N-[2-(pyridin-2-yl)ethyl]pyridin-2-amine,
1041604-47-0,
ZINC21508378,
AKOS009228782,
SR-01000377713,
SR-01000377713-1,
|
| Complexity | 201 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 277.021g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 278.153g/mol |
| Monoisotopic Mass | 277.021g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 37.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.8 |
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Certificate of Analysis
Lot Number