| CAS Number | 50993-21-0 |
| Catalog Number | AG01B7Z6 |
| Chemical Name | 1-methyl-N-phenylcyclohexane-1-carboxamide |
| IUPAC Name | 1-methyl-N-phenylcyclohexane-1-carboxamide |
| InChI | InChI=1S/C14H19NO/c1-14(10-6-3-7-11-14)13(16)15-12-8-4-2-5-9-12/h2,4-5,8-9H,3,6-7,10-11H2,1H3,(H,15,16) |
| InChI Key | CLHDQNLIRYMWMM-UHFFFAOYSA-N |
| MDL Number | MFCD24555226 |
| Molecular Formula | C14H19NO |
| Molecular Weight | 217.3068 |
| SMILES | CC1(C(NC2=CC=CC=C2)=O)CCCCC1 |
| Synonyms | 1-methyl-N-phenylcyclohexane-1-carboxamide,
50993-21-0,
ZINC123722630,
|
| Complexity | 237 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 217.147g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 217.312g/mol |
| Monoisotopic Mass | 217.147g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 29.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number