| CAS Number | 1909294-27-4 |
| Catalog Number | AG01C5HR |
| Chemical Name | ethyl (3S)-3-(aminomethyl)-5-methylhexanoate hydrochloride |
| IUPAC Name | ethyl (3S)-3-(aminomethyl)-5-methylhexanoate;hydrochloride |
| InChI | InChI=1S/C10H21NO2.ClH/c1-4-13-10(12)6-9(7-11)5-8(2)3;/h8-9H,4-7,11H2,1-3H3;1H/t9-;/m0./s1 |
| InChI Key | UBTOZLCGAHWBKE-FVGYRXGTSA-N |
| MDL Number | MFCD29763420 |
| Molecular Formula | C10H22ClNO2 |
| Molecular Weight | 223.7402 |
| SMILES | Cl.NC[C@H](CC(=O)OCC)CC(C)C |
| Synonyms | ethyl (3S)-3-(aminomethyl)-5-methylhexanoate hydrochloride,
1909294-27-4,
Pregabalin Ethyl Ester Hydrochloride,
ethyl (3S)-3-(aminomethyl)-5-methylhexanoate;hydrochloride,
|
| Complexity | 146 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 223.134g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 223.741g/mol |
| Monoisotopic Mass | 223.134g/mol |
| Rotatable Bond Count | 7 |
| Topological Polar Surface Area | 52.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number