| CAS Number | 74410-26-7 |
| Catalog Number | AG01BFOC(AGN-PC-0U57PL) |
| Chemical Name | (2S)-2-Amino-N,3-dimethylbutanamide hydrochloride |
| IUPAC Name | (2S)-2-amino-N,3-dimethylbutanamide;hydrochloride |
| InChI | InChI=1S/C6H14N2O.ClH/c1-4(2)5(7)6(9)8-3;/h4-5H,7H2,1-3H3,(H,8,9);1H/t5-;/m0./s1 |
| InChI Key | PPEBJEOKRFEESV-JEDNCBNOSA-N |
| MDL Number | MFCD11041210 |
| Molecular Formula | C6H15ClN2O |
| Molecular Weight | 166.6491 |
| SMILES | CC(C)[C@H](N)C(NC)=O.[H]Cl |
| Synonyms | (2S)-2-amino-N,3-dimethylbutanamide hydrochloride,
74410-26-7,
SCHEMBL4771535,
PPEBJEOKRFEESV-JEDNCBNOSA-N,
AKOS026742575,
NE33558,
racemic N-methylvaline amide hydrochloride,
2-AMINO-N,3-DIMETHYLBUTANAMIDE HYDROCHLORIDE,
188890-78-0,
|
| Complexity | 101 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 166.087g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 10 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 166.649g/mol |
| Monoisotopic Mass | 166.087g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 55.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number