| CAS Number | 1134723-91-3 |
| Catalog Number | AG019KZ1(AGN-PC-0WO54L) |
| Chemical Name | 2-bromo-3-methyl-N-(2-methylcyclohexyl)butanamide |
| IUPAC Name | 2-bromo-3-methyl-N-(2-methylcyclohexyl)butanamide |
| InChI | InChI=1S/C12H22BrNO/c1-8(2)11(13)12(15)14-10-7-5-4-6-9(10)3/h8-11H,4-7H2,1-3H3,(H,14,15) |
| InChI Key | WEOVVBCNLWNKKA-UHFFFAOYSA-N |
| MDL Number | MFCD09943478 |
| Molecular Formula | C12H22BrNO |
| Molecular Weight | 276.2132 |
| SMILES | CC(C(C(NC1C(C)CCCC1)=O)Br)C |
| Synonyms | 2-bromo-3-methyl-N-(2-methylcyclohexyl)butanamide,
1134723-91-3,
AKOS000187308,
NE27216,
|
| Complexity | 218 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 275.088g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 276.218g/mol |
| Monoisotopic Mass | 275.088g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 29.1A^2 |
| Undefined Atom Stereocenter Count | 3 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.9 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number