Basic information
- CAS
95211-90-8- Standard SMILES
CN(C)CCNC1CC(C)(C)N([O-])C(C)(C)C1.O=C(O)/C=C/C(=O)O- InChIKey
PYBZTARDYNJWDM-WLHGVMLRSA-N- Molecular formula
- C17H32N3O5-
- Average molar mass
- 358.5 g/mol
- Monoisotopic mass
- 358.23419613
Overview
structure given in first source; RN given refers to maleate salt; RN for cpd without isomeric designation not available 5/85
Names & identifiers
- Preferred name
- Ro 31-2655
- IUPAC
- (E)-but-2-enedioic acid;N',N'-dimethyl-N-(2,2,6,6-tetramethyl-1-oxidopiperidin-4-yl)ethane-1,2-diamine
Names & synonyms
Ro 31-265595211-90-8Ro-31-2665RefChem:179667N,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-diamine1-Piperidinyloxy, 4-((2-(dimethylamino)ethyl)amino)-2,2,6,6-tetramethyl-, (Z)-2-butenedioate (2:1)
Database identifiers
- CAS
95211-90-8- PubChem CID
- 6438596
Properties
Computed structural properties
- Topological polar surface area
- 116 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 6
- Heavy atoms
- 25
- Formal charge
- -1
- Complexity
- 352
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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