| CAS Number | 1016881-60-9 |
| Catalog Number | AG019KZ5 |
| Chemical Name | 2-bromo-3-methyl-N-(quinolin-5-yl)butanamide |
| IUPAC Name | 2-bromo-3-methyl-N-quinolin-5-ylbutanamide |
| InChI | InChI=1S/C14H15BrN2O/c1-9(2)13(15)14(18)17-12-7-3-6-11-10(12)5-4-8-16-11/h3-9,13H,1-2H3,(H,17,18) |
| InChI Key | UELVPHJPDIYPHI-UHFFFAOYSA-N |
| MDL Number | MFCD09941692 |
| Molecular Formula | C14H15BrN2O |
| Molecular Weight | 307.1857 |
| SMILES | CC(C(C(NC1=C2C(N=CC=C2)=CC=C1)=O)Br)C |
| Synonyms | 2-bromo-3-methyl-N-(quinolin-5-yl)butanamide,
1016881-60-9,
AKOS000182638,
NE40558,
|
| Complexity | 296 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 306.037g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 307.191g/mol |
| Monoisotopic Mass | 306.037g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 42A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number