| CAS Number | 1098361-68-2 |
| Catalog Number | AG019KYY(AGN-PC-0WO4UJ) |
| Chemical Name | 2-bromo-N-cycloheptyl-3-methylbutanamide |
| IUPAC Name | 2-bromo-N-cycloheptyl-3-methylbutanamide |
| InChI | InChI=1S/C12H22BrNO/c1-9(2)11(13)12(15)14-10-7-5-3-4-6-8-10/h9-11H,3-8H2,1-2H3,(H,14,15) |
| InChI Key | NYFYBLMROGEUIQ-UHFFFAOYSA-N |
| MDL Number | MFCD11643987 |
| Molecular Formula | C12H22BrNO |
| Molecular Weight | 276.2132 |
| SMILES | CC(C(C(NC1CCCCCC1)=O)Br)C |
| Synonyms | 2-bromo-N-cycloheptyl-3-methylbutanamide,
1098361-68-2,
AKOS009145368,
NE27318,
|
| Complexity | 198 |
| 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 | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number