| CAS Number | 1394041-26-9 |
| Catalog Number | AG01A0FV |
| Chemical Name | Methyl 3-amino-2,2-dimethyl-3-phenylpropanoate hydrochloride |
| IUPAC Name | methyl 3-amino-2,2-dimethyl-3-phenylpropanoate;hydrochloride |
| InChI | InChI=1S/C12H17NO2.ClH/c1-12(2,11(14)15-3)10(13)9-7-5-4-6-8-9;/h4-8,10H,13H2,1-3H3;1H |
| InChI Key | WZSIDDCDYAZFDD-UHFFFAOYSA-N |
| MDL Number | MFCD22378715 |
| Molecular Formula | C12H18ClNO2 |
| Molecular Weight | 243.7298 |
| SMILES | Cl.NC(C(C(=O)OC)(C)C)C1=CC=CC=C1 |
| Synonyms | methyl 3-amino-2,2-dimethyl-3-phenylpropanoate hydrochloride,
1394041-26-9,
MCULE-1176645639,
NE50713,
Z1436181489,
(R)-Methyl 3-amino-2,2-dimethyl-3-phenylpropionate HCl,
(R)-Methyl 3-amino-2,2-dimethyl-3-phenylpropanoate hydrochloride,
N/A,
|
| Complexity | 220 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 243.103g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 243.731g/mol |
| Monoisotopic Mass | 243.103g/mol |
| Rotatable Bond Count | 4 |
| 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