| CAS Number | 6327-59-9 |
| Catalog Number | AG00EARU(AGN-PC-0OE441) |
| Chemical Name | H-ASP(OBZL)-OBZL HCL |
| IUPAC Name | dibenzyl (2S)-2-aminobutanedioate;hydrochloride |
| InChI | InChI=1S/C18H19NO4.ClH/c19-16(18(21)23-13-15-9-5-2-6-10-15)11-17(20)22-12-14-7-3-1-4-8-14;/h1-10,16H,11-13,19H2;1H/t16-;/m0./s1 |
| InChI Key | ILBZEWOOBCRRAP-NTISSMGPSA-N |
| MDL Number | MFCD01075101 |
| Molecular Formula | C18H20ClNO4 |
| Molecular Weight | 349.8087 |
| SMILES | Cl[H].[H][C@@](N)(CC(=O)OCC1=CC=CC=C1)C(=O)OCC1=CC=CC=C1 |
| Synonyms | 6327-59-9,
H-ASP(OBZL)-OBZL HCL,
H-Asp(OBzl)-OBzl.HCl,
L-Aspartic acid, bis(phenylmethyl) ester, hydrochloride,
MFCD01075101,
AK-81233,
H-Asp(OBzl)-obzl-HCl,
H0D0Asp(OBzl)-OBzl.HCl,
DIBENZYL L-ASPARTATE HCL,
SCHEMBL14762001,
KS-00000GCS,
AKOS015849169,
(S)-dibenzyl 2-aminosuccinate hydrochloride,
ST24030740,
L-Aspartic acid 1,4-bis-benzyl ester hydrochloride,
H-ASP -OBZLHCL,
174457-99-9,
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| Complexity | 373 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 349.108g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 24 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 349.811g/mol |
| Monoisotopic Mass | 349.108g/mol |
| Rotatable Bond Count | 9 |
| Topological Polar Surface Area | 78.6A^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