| CAS Number | 95217-40-6 |
| Catalog Number | AG00IIU4(AGN-PC-0LD3Y3) |
| Chemical Name | N-(1-hydroxy-2-methylpropan-2-yl)-2-methylbenzamide |
| IUPAC Name | N-(1-hydroxy-2-methylpropan-2-yl)-2-methylbenzamide |
| InChI | InChI=1S/C12H17NO2/c1-9-6-4-5-7-10(9)11(15)13-12(2,3)8-14/h4-7,14H,8H2,1-3H3,(H,13,15) |
| InChI Key | FSJWWZFVMVPLOV-UHFFFAOYSA-N |
| MDL Number | MFCD28502355 |
| Molecular Formula | C12H17NO2 |
| Molecular Weight | 207.2689 |
| SMILES | OCC(NC(=O)c1ccccc1C)(C)C |
| Synonyms | N-(1-hydroxy-2-methylpropan-2-yl)-2-methylbenzamide,
95217-40-6,
AC1NBYZC,
ZINC395836,
MFCD03414470,
AKOS009532288,
MCULE-8447825794,
N-(2-methyl-3-hydroxyprop-2-yl)-o-toluamide,
N-(2-HYDROXY-1,1-DIMETHYLETHYL)-2-METHYLBENZAMIDE,
CID4550594,
Benzamide, N-(2-hydroxy-1,1-dimethylethyl)-2-methyl,
N-(1-hydroxy-2-methyl-propan-2-yl)-2-methyl-benzamide,
|
| Complexity | 226 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 207.126g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 207.273g/mol |
| Monoisotopic Mass | 207.126g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 49.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.9 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number