RefChem:1056159
(E)-but-2-enedioic acid;2-(dimethylamino)ethyl 8-ethyl-2-oxo-1-oxa-3-azaspiro[4.5]decane-3-carboxylate
Also Known As: 1-Oxa-3-azaspiro(4.5)decane-3-carboxylic acid, 7-ethyl-2-oxo-, 2-dimethylaminoethyl ester, fumarate, (Z)-|Dimethylaminoethyl 7-ethyl-2-oxo-1-oxa-3-azaspiro(4.5)decane-3-carboxylate fumarate (Z)-|(E)-but-2-enedioic acid; 2-dimethylaminoethyl 8-ethyl-3-oxo-4-oxa-2-azaspiro[4.5]decane-2-carboxylate|1-Oxa-3-azaspiro[4.5]decane-3-carboxylic acid, 8-ethyl-2-oxo-, 2-(dimethylamino)ethyl ester, cis-, (E)-2-butenedioate (1:1)
| Molecular Formula | C19H30N2O8 |
|---|---|
| Molecular Weight | 414.20023 g/mol |
| LogP | 2.1876 |
| Topological Polar Surface Area | 133.68 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 414.20023 |
| Monoisotopic Mass | 414.20023 |
| Heavy Atoms | 29 |
| Complexity | 607.69867 |
Chemical Identifiers
| CAS Number | 72017-33-5 |
|---|---|
| SMILES | CCC1CCC2(CC1)CN(C(=O)O2)C(=O)OCCN(C)C.C(=C/C(=O)O)\C(=O)O |
Product Overview
RefChem:1056159 (CAS 72017-33-5), with molecular formula C19H30N2O8 and molecular weight 414.20023 g/mol. IUPAC: (E)-but-2-enedioic acid;2-(dimethylamino)ethyl 8-ethyl-2-oxo-1-oxa-3-azaspiro[4.5]decane-3-carboxylate.