| CAS Number | 210917-86-5 |
| Catalog Number | AG002L1U(AGN-PC-0O7T61) |
| Chemical Name | BZL-D-VAL-OME HCL |
| IUPAC Name | methyl (2R)-2-(benzylamino)-3-methylbutanoate;hydrochloride |
| InChI | InChI=1S/C13H19NO2.ClH/c1-10(2)12(13(15)16-3)14-9-11-7-5-4-6-8-11;/h4-8,10,12,14H,9H2,1-3H3;1H/t12-;/m1./s1 |
| InChI Key | WCFZNEINMPTYRU-UTONKHPSSA-N |
| MDL Number | MFCD03788630 |
| Molecular Formula | C13H20ClNO2 |
| Molecular Weight | 257.7564 |
| SMILES | COC(=O)[C@@H](C(C)C)NCc1ccccc1 |
| Synonyms | 210917-86-5,
(R)-Methyl 2-(benzylamino)-3-methylbutanoate hydrochloride,
BZL-D-VAL-OME HCL,
N-Benzyl-D-valine methyl ester hydrochloride,
DTXSID20718534,
0775AB,
MFCD03788630,
ACM210917865,
AX8119266,
K-6078,
Methyl N-benzyl-D-valinate--hydrogen chloride (1/1),
1821769-12-3,
C13H20ClNO2,
(S)-Methyl 2-(benzylamino)-3-methylbutanoate hydrochloride,
177721-72-1,
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| Complexity | 210 |
| 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 | 6 |
| Topological Polar Surface Area | 38.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number