| CAS Number | 1272754-99-0 |
| Catalog Number | AG009DOD(AGN-PC-0WBO9Q) |
| Chemical Name | Bzl,Me-L-Met-Ome HCl |
| IUPAC Name | methyl (2S)-2-[benzyl(methyl)amino]-4-methylsulfanylbutanoate;hydrochloride |
| InChI | InChI=1S/C14H21NO2S.ClH/c1-15(11-12-7-5-4-6-8-12)13(9-10-18-3)14(16)17-2;/h4-8,13H,9-11H2,1-3H3;1H/t13-;/m0./s1 |
| InChI Key | UAABAOCOIDJTRS-ZOWNYOTGSA-N |
| MDL Number | MFCD04973104 |
| Molecular Formula | C14H22ClNO2S |
| Molecular Weight | 303.8480 |
| SMILES | COC(=O)[C@@H](N(Cc1ccccc1)C)CCSC |
| Synonyms | BZL,ME-L-MET-OME HCL,
1272754-99-0,
N-BENZYL-N-METHYL-L-METHIONINE METHYL ESTER HYDROCHLORIDE,
C14H21NO2S.HCl,
CTK6I6224,
6486AH,
MFCD04973104,
K-3957,
|
| Complexity | 242 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 303.106g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 303.845g/mol |
| Monoisotopic Mass | 303.106g/mol |
| Rotatable Bond Count | 8 |
| Topological Polar Surface Area | 54.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number