| CAS Number | 1292445-77-2 |
| Catalog Number | AG01B7LD |
| Chemical Name | 5-bromo-N-(4-methoxybutyl)pyridin-2-amine |
| IUPAC Name | 5-bromo-N-(4-methoxybutyl)pyridin-2-amine |
| InChI | InChI=1S/C10H15BrN2O/c1-14-7-3-2-6-12-10-5-4-9(11)8-13-10/h4-5,8H,2-3,6-7H2,1H3,(H,12,13) |
| InChI Key | PTEYFGGSPYFDRL-UHFFFAOYSA-N |
| MDL Number | MFCD16115466 |
| Molecular Formula | C10H15BrN2O |
| Molecular Weight | 259.1429 |
| SMILES | COCCCCNC1=NC=C(Br)C=C1 |
| Synonyms | 5-bromo-N-(4-methoxybutyl)pyridin-2-amine,
1292445-77-2,
ZINC44659395,
AKOS011086170,
|
| Complexity | 146 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 258.037g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 259.147g/mol |
| Monoisotopic Mass | 258.037g/mol |
| Rotatable Bond Count | 6 |
| Topological Polar Surface Area | 34.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number