| CAS Number | 500880-58-0 |
| Catalog Number | AG003PHL(AGN-PC-0JPEWL) |
| Chemical Name | Diethyl Ureidomalonate |
| IUPAC Name | diethyl 2-(carbamoylamino)propanedioate |
| InChI | InChI=1S/C8H14N2O5/c1-3-14-6(11)5(10-8(9)13)7(12)15-4-2/h5H,3-4H2,1-2H3,(H3,9,10,13) |
| InChI Key | HHIQUVWDEJKFDJ-UHFFFAOYSA-N |
| MDL Number | MFCD04039518 |
| Molecular Formula | C8H14N2O5 |
| Molecular Weight | 218.2072 |
| SMILES | CCOC(=O)C(NC(=O)N)C(=O)OCC |
| Synonyms | DIETHYL UREIDOMALONATE,
500880-58-0,
NSC239756,
diethyl 2-(carbamoylamino)propanedioate,
AC1L6P6G,
SCHEMBL12820573,
CTK6F3681,
DTXSID30304366,
ZINC1644974,
NSC165525,
NSC 165525,
NSC 239756,
NSC-165525,
NSC-239756,
N-Carbamoylaminomalonic Acid Diethyl Ester,
RT-012334,
FT-0666802,
2-[(Aminocarbonyl)amino]propanedioic Acid 1,3-Diethyl Ester,
CID295899,
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| Complexity | 235 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 218.09g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 218.209g/mol |
| Monoisotopic Mass | 218.09g/mol |
| Rotatable Bond Count | 7 |
| Topological Polar Surface Area | 108A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -0.3 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number