| CAS Number | 176388-88-8 |
| Catalog Number | AG01A4Y6(AGN-PC-0O4ZT1) |
| Chemical Name | benzyl (2S)-2-amino-3,3-dimethylbutanoate hydrochloride |
| IUPAC Name | benzyl (2S)-2-amino-3,3-dimethylbutanoate;hydrochloride |
| InChI | InChI=1S/C13H19NO2.ClH/c1-13(2,3)11(14)12(15)16-9-10-7-5-4-6-8-10;/h4-8,11H,9,14H2,1-3H3;1H/t11-;/m1./s1 |
| InChI Key | DAMFALAMZHMNIN-RFVHGSKJSA-N |
| MDL Number | MFCD24369172 |
| Molecular Formula | C13H20ClNO2 |
| Molecular Weight | 257.7564 |
| SMILES | Cl.CC([C@@H](C(OCC1=CC=CC=C1)=O)N)(C)C |
| Synonyms | benzyl (2S)-2-amino-3,3-dimethylbutanoate hydrochloride,
176388-88-8,
DAMFALAMZHMNIN-RFVHGSKJSA-N,
NE21356,
L-tert-leucine benzyl ester hydrochloride,
|
| Complexity | 227 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 257.118g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 257.758g/mol |
| Monoisotopic Mass | 257.118g/mol |
| Rotatable Bond Count | 5 |
| 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