| CAS Number | 390815-46-0 |
| Catalog Number | AG01ACOF(AGN-PC-0RIKHB) |
| Chemical Name | methyl 2-amino-2-(3,4-dimethylphenyl)acetate hydrochloride |
| IUPAC Name | methyl 2-amino-2-(3,4-dimethylphenyl)acetate;hydrochloride |
| InChI | InChI=1S/C11H15NO2.ClH/c1-7-4-5-9(6-8(7)2)10(12)11(13)14-3;/h4-6,10H,12H2,1-3H3;1H |
| InChI Key | WBNSUMFGJAWUTG-UHFFFAOYSA-N |
| MDL Number | MFCD26408059 |
| Molecular Formula | C11H16ClNO2 |
| Molecular Weight | 229.7032 |
| SMILES | Cl.COC(C(C1=CC(C)=C(C)C=C1)N)=O |
| Synonyms | methyl 2-amino-2-(3,4-dimethylphenyl)acetate hydrochloride,
390815-46-0,
NE38591,
METHYL2-AMINO-2-(3,4-DIMETHYLPHENYL)ACETATE HCL,
|
| Complexity | 206 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 229.087g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 229.704g/mol |
| Monoisotopic Mass | 229.087g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 52.3A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number