| CAS Number | 1569257-94-8 |
| Catalog Number | AG01EP99(AGN-PC-3H46ME) |
| Chemical Name | 2,2,6,6-tetramethyl-4-[[2-(triphenylphosphonio)acetyl]amino]-1-piperidinyloxy,monochloride,monohydrate |
| IUPAC Name | [2-[(1-λ1-oxidanyl-2,2,6,6-tetramethylpiperidin-4-yl)amino]-2-oxoethyl]-triphenylphosphanium;chloride;hydrate |
| InChI | InChI=1S/C29H34N2O2P.ClH.H2O/c1-28(2)20-23(21-29(3,4)31(28)33)30-27(32)22-34(24-14-8-5-9-15-24,25-16-10-6-11-17-25)26-18-12-7-13-19-26;;/h5-19,23H,20-22H2,1-4H3;1H;1H2 |
| InChI Key | AIAJCDXYZBOVGT-UHFFFAOYSA-N |
| Molecular Formula | C29H37ClN2O3P |
| Molecular Weight | 528.0424 |
| SMILES | O=C(NC1CC(C)(C)N([O])C(C)(C)C1)C[P+](C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4.[Cl-].O |
| Synonyms | J-009355,
1569257-94-8,
2,2,6,6-tetramethyl-4-[[2-(triphenylphosphonio)acetyl]amino]-1-piperidinyloxy,monochloride,monohydrate,
Mito-TEMPO,
|
| Complexity | 612 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 3 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 527.223g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 36 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 528.05g/mol |
| Monoisotopic Mass | 527.223g/mol |
| Rotatable Bond Count | 6 |
| Topological Polar Surface Area | 34.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number