| CAS Number | 68882-34-8 |
| Catalog Number | AG00FCXU(AGN-PC-0TTX3O) |
| Chemical Name | DIETHYL ACETAMIDOMALONATE-2-13C |
| IUPAC Name | diethyl 2-acetamido(213C)propanedioate |
| InChI | InChI=1S/C9H15NO5/c1-4-14-8(12)7(10-6(3)11)9(13)15-5-2/h7H,4-5H2,1-3H3,(H,10,11)/i7+1 |
| InChI Key | ISOLMABRZPQKOV-CDYZYAPPSA-N |
| MDL Number | MFCD00037507 |
| Molecular Formula | C9H15NO5 |
| Molecular Weight | 217.2191 |
| SMILES | CCOC(=O)C(C(=O)OCC)NC(=O)C |
| Synonyms | Diethyl acetamidomalonate-2-13C,
68882-34-8,
SCHEMBL1330728,
DTXSID00480267,
AKOS015916205,
FT-0773409,
C-46777,
I14-53496,
Diethyl acetamidomalonate-2-13C, >=99 atom % 13C, >=99% (CP),
diethyl 2-acetamidopropanedioate,
Diethylacetamidomalonate-2-13C,
|
| Complexity | 233 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 218.098g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 1 |
| Molecular Weight | 218.213g/mol |
| Monoisotopic Mass | 218.098g/mol |
| Rotatable Bond Count | 7 |
| Topological Polar Surface Area | 81.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number