| CAS Number | 1824129-89-6 |
| Catalog Number | AG01EHPB |
| Chemical Name | 5-(bromomethyl)-1-isopropyl-2-piperidinone |
| IUPAC Name | 5-(bromomethyl)-1-propan-2-ylpiperidin-2-one |
| InChI | InChI=1S/C9H16BrNO/c1-7(2)11-6-8(5-10)3-4-9(11)12/h7-8H,3-6H2,1-2H3 |
| InChI Key | KLUMGEZNAICMMU-UHFFFAOYSA-N |
| MDL Number | MFCD22396874 |
| Molecular Formula | C9H16BrNO |
| Molecular Weight | 234.1334 |
| SMILES | N1(C(C)C)CC(CBr)CCC1=O |
| Synonyms | ALBB-031872,
MFCD22396874,
5-(Bromomethyl)-1-isopropyl-2-piperidinone,
1824129-89-6,
|
| Complexity | 170 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 233.042g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 234.137g/mol |
| Monoisotopic Mass | 233.042g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 20.3A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.6 |
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Certificate of Analysis
Lot Number