| CAS Number | 91452-27-6 |
| Catalog Number | AG00GXPQ(AGN-PC-004UDM) |
| Chemical Name | Acetamide, N-[2-(2,6-dimethylphenoxy)-1-methylethyl]- |
| IUPAC Name | N-[1-(2,6-dimethylphenoxy)propan-2-yl]acetamide |
| InChI | InChI=1S/C13H19NO2/c1-9-6-5-7-10(2)13(9)16-8-11(3)14-12(4)15/h5-7,11H,8H2,1-4H3,(H,14,15) |
| InChI Key | DNSFMKGQWLZMOJ-UHFFFAOYSA-N |
| MDL Number | MFCD30567355 |
| Molecular Formula | C13H19NO2 |
| Molecular Weight | 221.2955 |
| SMILES | CC(NC(=O)C)COc1c(C)cccc1C |
| Synonyms | Mexiletine acetate,
91452-27-6,
N-[2-(2,6-Dimethylphenoxy)-1-methylethyl]acetamide,
DNSFMKGQWLZMOJ-UHFFFAOYSA-N,
Acetamide, N-[2-(2,6-dimethylphenoxy)-1-methylethyl]-,
ACMC-20lues,
AC1LC15H,
SCHEMBL2396214,
CTK3G4629,
DTXSID20340814,
MEX_222.1488_17.1,
N-[1-(2,6-dimethylphenoxy)propan-2-yl]acetamide,
N-[2-(2,6-dimethylphenoxy)-1-methylethyl]-acetamide,
N-[2-(2,6-Dimethylphenoxy)-1-methylethyl]acetamide #,
CID567741,
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| Complexity | 220 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 221.142g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 221.3g/mol |
| Monoisotopic Mass | 221.142g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 38.3A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.4 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
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