| CAS Number | 544416-14-0 |
| Catalog Number | AG01A96M |
| Chemical Name | 4-chloro-N-(2-methylpropyl)butanamide |
| IUPAC Name | 4-chloro-N-(2-methylpropyl)butanamide |
| InChI | InChI=1S/C8H16ClNO/c1-7(2)6-10-8(11)4-3-5-9/h7H,3-6H2,1-2H3,(H,10,11) |
| InChI Key | OBEVTCWEZJXVCM-UHFFFAOYSA-N |
| MDL Number | MFCD03376440 |
| Molecular Formula | C8H16ClNO |
| Molecular Weight | 177.6717 |
| SMILES | CC(CNC(CCCCl)=O)C |
| Synonyms | 4-chloro-N-(2-methylpropyl)butanamide,
544416-14-0,
CTK6H7733,
AC1N9847,
ZINC5907852,
4-CHLORO-N-ISOBUTYLBUTANAMIDE,
AKOS000147706,
CID4381445,
|
| Complexity | 115 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 177.092g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 177.672g/mol |
| Monoisotopic Mass | 177.092g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 29.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.8 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number