| CAS Number | 1097825-87-0 |
| Catalog Number | AG019KZP |
| Chemical Name | 2-bromo-N-[(4-methoxyphenyl)methyl]-N,3-dimethylbutanamide |
| IUPAC Name | 2-bromo-N-[(4-methoxyphenyl)methyl]-N,3-dimethylbutanamide |
| InChI | InChI=1S/C14H20BrNO2/c1-10(2)13(15)14(17)16(3)9-11-5-7-12(18-4)8-6-11/h5-8,10,13H,9H2,1-4H3 |
| InChI Key | NIFDCHXVLWHXPZ-UHFFFAOYSA-N |
| MDL Number | MFCD11547040 |
| Molecular Formula | C14H20BrNO2 |
| Molecular Weight | 314.2181 |
| SMILES | COC1=CC=C(CN(C(C(C(C)C)Br)=O)C)C=C1 |
| Synonyms | 2-bromo-N-[(4-methoxyphenyl)methyl]-N,3-dimethylbutanamide,
1097825-87-0,
AKOS005923495,
NE34823,
|
| Complexity | 263 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 313.068g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 314.223g/mol |
| Monoisotopic Mass | 313.068g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 29.5A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number