| CAS Number | 402929-60-6 |
| Catalog Number | AG00C7ZY(AGN-PC-0WBO5Y) |
| Chemical Name | Bzl-met-ome hcl |
| IUPAC Name | methyl (2S)-2-(benzylamino)-4-methylsulfanylbutanoate;hydrochloride |
| InChI | InChI=1S/C13H19NO2S.ClH/c1-16-13(15)12(8-9-17-2)14-10-11-6-4-3-5-7-11;/h3-7,12,14H,8-10H2,1-2H3;1H/t12-;/m0./s1 |
| InChI Key | PELBNOHMQZOBAL-YDALLXLXSA-N |
| MDL Number | MFCD02684382 |
| Molecular Formula | C13H20ClNO2S |
| Molecular Weight | 289.8214 |
| SMILES | Cl.COC(=O)[C@H](CCSC)NCC1=CC=CC=C1 |
| Synonyms | 402929-60-6,
(S)-Methyl 2-(benzylamino)-4-(methylthio)butanoate hydrochloride,
BZL-MET-OME HCL,
Benzyl-L-methionine methyl ester hydrochloride,
N-alpha-Benzyl-L-methionine methyl ester hydrochlorid,
(S)-METHYL 2-(BENZYLAMINO)-4-(METHYLTHIO)BUTANOATE HCL,
SCHEMBL1886525,
CTK6I6458,
DTXSID20718498,
PELBNOHMQZOBAL-YDALLXLXSA-N,
5399AB,
ANW-63303,
MFCD02684382,
AS-46905,
N-benzyl-methionine methyl ester HCl salt,
AX8119271,
RT-021779,
K-8612,
BENZYL-L-METHIONINE METHYLESTER HYDROCHLORIDE,
Methyl N-benzyl-L-methioninate--hydrogen chloride (1/1),
C13H20ClNO2S,
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| Complexity | 218 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 289.09g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 289.818g/mol |
| Monoisotopic Mass | 289.09g/mol |
| Rotatable Bond Count | 8 |
| Topological Polar Surface Area | 63.6A^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