| CAS Number | 402929-52-6 |
| Catalog Number | AG00C7ZK(AGN-PC-0WBO5X) |
| Chemical Name | methyl (2S)-2-(benzylamino)-4-carbamoylbutanoate HCl |
| IUPAC Name | methyl (2S)-5-amino-2-(benzylamino)-5-oxopentanoate;hydrochloride |
| InChI | InChI=1S/C13H18N2O3.ClH/c1-18-13(17)11(7-8-12(14)16)15-9-10-5-3-2-4-6-10;/h2-6,11,15H,7-9H2,1H3,(H2,14,16);1H/t11-;/m0./s1 |
| InChI Key | YGJASGUIWUFZEF-MERQFXBCSA-N |
| MDL Number | MFCD02684377 |
| Molecular Formula | C13H19ClN2O3 |
| Molecular Weight | 286.7546 |
| SMILES | Cl.COC(=O)[C@H](CCC(N)=O)NCC1=CC=CC=C1 |
| Synonyms | 402929-52-6,
ALFA-BENZYL-L-GLUTAMINE METHYLESTER HCL,
N-alpha-Benzyl-L-glutamine methyl ester hydrochloride,
Bzl-Gln-Ome HCl,
C13H18N2O3.HCl,
CTK6I6456,
6488AH,
MFCD02684377,
AS-49128,
Benzyl-D-glutamine methyl ester hydrochloride,
BENZYL-L-GLUTAMINE METHYLESTER HYDROCHLORIDE,
methyl (2S)-2-(benzylamino)-4-carbamoylbutanoate HCl,
BZL-GLN-OMEHCL,
(S)-Methyl 5-amino-2-(benzylamino)-5-oxopentanoate hydrochloride,
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| Complexity | 275 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 286.108g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 286.756g/mol |
| Monoisotopic Mass | 286.108g/mol |
| Rotatable Bond Count | 8 |
| Topological Polar Surface Area | 81.4A^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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P280-P305+P351+P338
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UN Code
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Certificate of Analysis
Lot Number