| CAS Number | 119838-37-8 |
| Catalog Number | AG000PRE(AGN-PC-0PDVEA) |
| Chemical Name | (R)-2-(tert-Butyl)-3-methyl-4-oxoimidazolidin-1-ium (r)-2-hydroxy-2-phenylacetate |
| IUPAC Name | (2R)-2-tert-butyl-3-methylimidazolidin-1-ium-4-one;(2R)-2-hydroxy-2-phenylacetate |
| InChI | InChI=1S/C8H16N2O.C8H8O3/c1-8(2,3)7-9-5-6(11)10(7)4;9-7(8(10)11)6-4-2-1-3-5-6/h7,9H,5H2,1-4H3;1-5,7,9H,(H,10,11)/t2*7-/m11/s1 |
| InChI Key | XZXKXJSHUSGLJH-HFEGYEGKSA-N |
| MDL Number | MFCD28046706 |
| Molecular Formula | C16H24N2O4 |
| Molecular Weight | 308.3728 |
| SMILES | O[C@H](c1ccccc1)C(=O)O.CN1C(=O)CN[C@H]1C(C)(C)C |
| Synonyms | (R)-2-(tert-Butyl)-3-methyl-4-oxoimidazolidin-1-ium (R)-2-hydroxy-2-phenylacetate,
119838-37-8,
(r)-2-tert-butyl-3-methyl-4-oxoimidazolidin-1-ium (r)-2-hydroxy-2-phenylacetate,
MFCD28046706,
AKOS025117389,
AB0000710,
(R)-2-t-Butyl-3-methyl-4-oxoimidazolidin-1-ium (R)-2-hydroxy-2-phenylacetate,
(R)-2-tert-butyl-3-methylimidazolidin-4-one,
|
| Complexity | 304 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 2 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 308.174g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 22 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 308.378g/mol |
| Monoisotopic Mass | 308.174g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 97.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
Lot Number