| CAS Number | 94129-50-7 |
| Catalog Number | AG01C7R6(AGN-PC-0W3SBS) |
| Chemical Name | methyl 2-amino-3-carbamoylpropanoate hydrochloride |
| IUPAC Name | methyl 2,4-diamino-4-oxobutanoate;hydrochloride |
| InChI | InChI=1S/C5H10N2O3.ClH/c1-10-5(9)3(6)2-4(7)8;/h3H,2,6H2,1H3,(H2,7,8);1H |
| InChI Key | QOMQXHIJXUDQSS-UHFFFAOYSA-N |
| MDL Number | MFCD19380523 |
| Molecular Formula | C5H11ClN2O3 |
| Molecular Weight | 182.6054 |
| SMILES | NC(CC(N)=O)C(OC)=O.[H]Cl |
| Synonyms | Methyl D-asparaginate hydrochloride,
METHYL 2-AMINO-3-CARBAMOYLPROPANOATE HYDROCHLORIDE,
94129-50-7,
methyl (2R)-2,4-diamino-4-oxobutanoate;hydrochloride,
SCHEMBL6231526,
AKOS016367237,
MCULE-1752536252,
VC30742,
methyl (2S)-2,4-diamino-4-oxobutanoate;hydrochloride,
H-Asn-OMe.HCl,
L-Asparagine methyl ester hydrochloride,
57461-34-4,
1272755-18-6,
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| Complexity | 146 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 182.046g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 182.604g/mol |
| Monoisotopic Mass | 182.046g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 95.4A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number