| CAS Number | 177721-72-1 |
| Catalog Number | AG0025HF(AGN-PC-0QB67X) |
| Chemical Name | Bzl-Val-OMe HCl |
| IUPAC Name | methyl (2S)-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-;/m0./s1 |
| InChI Key | WCFZNEINMPTYRU-YDALLXLXSA-N |
| MDL Number | MFCD02684386 |
| Molecular Formula | C13H20ClNO2 |
| Molecular Weight | 257.7564 |
| SMILES | CC(C)[C@H](NCC1=CC=CC=C1)C(OC)=O.[H]Cl |
| Synonyms | 177721-72-1,
(S)-Methyl 2-(benzylamino)-3-methylbutanoate hydrochloride,
BZL-VAL-OME HCL,
N-BENZYL-L-VALINE METHYL ESTER HYDROCHLORIDE,
CTK6I6425,
DTXSID80718499,
9323AA,
ANW-63297,
MFCD02684386,
AKOS016003598,
AX8119274,
RT-021549,
K-5448,
BENZYL-L-VALINE METHYL ESTER HYDROCHLORIDE,
Methyl N-benzyl-L-valinate--hydrogen chloride (1/1),
L-Valine, N-(phenylmethyl)-, methyl ester, hydrochloride (9CI),
C13H20ClNO2,
WCFZNEINMPTYRU-YDALLXLXSA-N,
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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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Hazard Class
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Hazard statements
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H302-H315-H319-H335
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Packing Group
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Precautionary statements
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P261-P305+P351+P338
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UN Code
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Certificate of Analysis
Lot Number