| CAS Number | 96386-93-5 |
| Catalog Number | AG01DWXF(AGN-PC-0OOD2Y) |
| Chemical Name | methyl (3S)-3-amino-5-methylhexanoate hydrochloride |
| IUPAC Name | methyl 3-amino-5-methylhexanoate;hydrochloride |
| InChI | InChI=1S/C8H17NO2.ClH/c1-6(2)4-7(9)5-8(10)11-3;/h6-7H,4-5,9H2,1-3H3;1H |
| InChI Key | SQRWBBUFBOLLSY-UHFFFAOYSA-N |
| MDL Number | MFCD31666171 |
| Molecular Formula | C8H18ClNO2 |
| Molecular Weight | 195.6870 |
| SMILES | COC(C[C@@H](N)CC(C)C)=O.Cl |
| Synonyms | Methyl 3-amino-5-methylhexanoate hydrochloride,
methyl (3S)-3-amino-5-methylhexanoate hydrochloride,
96386-93-5,
TMBA019,
MFCD22380686,
1858255-68-1,
C8H17NO2.HCl,
|
| Complexity | 123 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 195.103g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 195.687g/mol |
| Monoisotopic Mass | 195.103g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 52.3A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
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