| CAS Number | 1183683-27-3 |
| Catalog Number | AG00IS7W(AGN-PC-0WAZ8M) |
| Chemical Name | Methyl 2-methyl-2-[(4-methylphenyl)amino]propanoate |
| IUPAC Name | methyl 2-methyl-2-(4-methylanilino)propanoate |
| InChI | InChI=1S/C12H17NO2/c1-9-5-7-10(8-6-9)13-12(2,3)11(14)15-4/h5-8,13H,1-4H3 |
| InChI Key | QKAYKRFSJSDPCH-UHFFFAOYSA-N |
| MDL Number | MFCD12817867 |
| Molecular Formula | C12H17NO2 |
| Molecular Weight | 207.2689 |
| SMILES | O=C(OC)C(NC1(=CC=C(C)C=C1))(C)C |
| Synonyms | methyl 2-methyl-2-[(4-methylphenyl)amino]propanoate,
1183683-27-3,
Methyl 2-methyl-2-(p-tolylamino)propanoate,
SCHEMBL19707373,
MFCD12817867,
ZINC37953347,
AKOS010219106,
DG-0067,
MCULE-3289317662,
KS-000024E8,
Methyl 2-methyl-2-[(4-methylphenyl)-amino]propanoate,
|
| Complexity | 218 |
| 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 | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 207.273g/mol |
| Monoisotopic Mass | 207.126g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 38.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.8 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number