| CAS Number | 199118-68-8 |
| Catalog Number | AG00APP5(AGN-PC-0WADEZ) |
| Chemical Name | H-ASP(OBZL)-NH2 HCL |
| IUPAC Name | benzyl (3S)-3,4-diamino-4-oxobutanoate;hydrochloride |
| InChI | InChI=1S/C11H14N2O3.ClH/c12-9(11(13)15)6-10(14)16-7-8-4-2-1-3-5-8;/h1-5,9H,6-7,12H2,(H2,13,15);1H/t9-;/m0./s1 |
| InChI Key | STBSUQZEDYTKDV-FVGYRXGTSA-N |
| MDL Number | MFCD00153425 |
| Molecular Formula | C11H15ClN2O3 |
| Molecular Weight | 258.7014 |
| SMILES | O=C(OCC1=CC=CC=C1)C[C@H](N)C(N)=O.[H]Cl |
| Synonyms | H-ASP(OBZL)-NH2 HCL,
199118-68-8,
(S)-Benzyl 3,4-diamino-4-oxobutanoate hydrochloride,
MFCD00153425,
AKOS025289461,
BP-10407,
V4135,
B-7699,
EN300-221526,
L-Aspartic acid b-benzyl ester a-amide hydrochloride,
H-L-IsoAsn-OBzl*HCl, L-Aspartic acid alpha-amide beta-benzyl ester hydrochloride,
H-Asp(obzl)-nh2hcl,
H-Asp(OBzl)-NH2.HCl,
C11H14N2O3.HCl,
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| Complexity | 250 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 258.077g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 258.702g/mol |
| Monoisotopic Mass | 258.077g/mol |
| Rotatable Bond Count | 6 |
| Topological Polar Surface Area | 95.4A^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