Diethyl 3-amino-2-cyano-2-pentenedioate
diethyl (Z)-3-amino-2-cyanopent-2-enedioate
Also Known As: Tofacitinib Impurity 141|diethyl 3-amino-2-cyanopent-2-enedioate|Diethyl 3-amino-2-cyano-2-pentenedioate|(Z)-diethyl 3-amino-2-cyanopent-2-enedioate|diethyl (Z)-3-amino-2-cyanopent-2-enedioate|J1.130.020K|diethyl (Z)-3-amino-2-cyano-pent-2-enedioate|2-Cyano-3-amino-2-pentenedioic acid diethyl ester|3-Amino-2-cyano-2-pentenedioic acid diethyl ester|1,5-diethyl (2Z)-3-amino-2-cyanopent-2-enedioate|SR-01000631121-1|1,5-DIETHYL 3-AMINO-2-CYANOPENT-2-ENEDIOATE|(2Z)-2-Cyano-3-amino-2-pentenedioic acid diethyl ester|2-Pentenedioic acid,3-amino-2-cyano-,diethyl ester,(E)|(Z)-diethyl 3-amino-2-cyanopent-2-enedioate (Tofacitinib Impurity pound(c)
| Molecular Formula | C10H14N2O4 |
|---|---|
| Molecular Weight | 226.09535 g/mol |
| LogP | 0.23908 |
| Topological Polar Surface Area | 102.41 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 226.09535 |
| Monoisotopic Mass | 226.09535 |
| Heavy Atoms | 16 |
| Complexity | 341.2184 |
Chemical Identifiers
| CAS Number | 28447-79-2 |
|---|---|
| SMILES | CCOC(=O)C/C(=C(\C#N)/C(=O)OCC)/N |
Product Overview
Diethyl 3-amino-2-cyano-2-pentenedioate (CAS 28447-79-2), with molecular formula C10H14N2O4 and molecular weight 226.09535 g/mol. IUPAC: diethyl (Z)-3-amino-2-cyanopent-2-enedioate.