Ro 31-2655
(E)-but-2-enedioic acid;N',N'-dimethyl-N-(2,2,6,6-tetramethyl-1-oxidopiperidin-4-yl)ethane-1,2-diamine
Also Known As: Ro 31-2655|Ro-31-2665|N,N'-Dimethyl-N'-(2,2,6,6-tetramethyl-1-oxyl-4-piperidinyl)-1,2-diaminoethane|(E)-but-2-enedioic acid;N',N'-dimethyl-N-(2,2,6,6-tetramethyl-1-oxidopiperidin-4-yl)ethane-1,2-diamine|(E)-but-2-enedioic acid; N',N'-dimethyl-N-(2,2,6,6-tetramethyl-1-oxidopiperidin-4-yl)ethane-1,2-diamine|1-Piperidinyloxy, 4-((2-(dimethylamino)ethyl)amino)-2,2,6,6-tetramethyl-, (Z)-2-butenedioate (2:1)
| Molecular Formula | C17H32N3O5- |
|---|---|
| Molecular Weight | 358.2342 g/mol |
| LogP | 1.3688 |
| Topological Polar Surface Area | 116.17 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 358.2342 |
| Monoisotopic Mass | 358.2342 |
| Heavy Atoms | 25 |
| Complexity | 440.90378 |
Chemical Identifiers
| CAS Number | 95211-90-8 |
|---|---|
| SMILES | CC1(CC(CC(N1[O-])(C)C)NCCN(C)C)C.C(=C/C(=O)O)\C(=O)O |
Product Overview
Ro 31-2655 (CAS 95211-90-8), with molecular formula C17H32N3O5- and molecular weight 358.2342 g/mol. IUPAC: (E)-but-2-enedioic acid;N',N'-dimethyl-N-(2,2,6,6-tetramethyl-1-oxidopiperidin-4-yl)ethane-1,2-diamine.
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