| CAS Number | 64442-12-2 |
| Catalog Number | AG019EXV(AGN-PC-0TCK39) |
| Chemical Name | Diethyl 2-Acetamido-2-(4-(1,3-Dioxoisoindolin-2-Yl)-3-Hydroxybutyl)Malonate |
| IUPAC Name | diethyl 2-acetamido-2-[4-(1,3-dioxoisoindol-2-yl)-3-hydroxybutyl]propanedioate |
| InChI | InChI=1S/C21H26N2O8/c1-4-30-19(28)21(22-13(3)24,20(29)31-5-2)11-10-14(25)12-23-17(26)15-8-6-7-9-16(15)18(23)27/h6-9,14,25H,4-5,10-12H2,1-3H3,(H,22,24) |
| InChI Key | AENMYGQAOXAGCB-UHFFFAOYSA-N |
| MDL Number | MFCD28991818 |
| Molecular Formula | C21H26N2O8 |
| Molecular Weight | 434.4397 |
| SMILES | CCOC(=O)C(CCC(O)CN1C(=O)c2ccccc2C1=O)(NC(C)=O)C(=O)OCC |
| Synonyms | Diethyl 2-acetamido-2-(4-(1,3-dioxoisoindolin-2-yl)-3-hydroxybutyl)malonate,
64442-12-2,
MFCD28991818,
CS-0038180,
Diethyl 2-Acetamido-2-(4-(1,3-Dioxoisoindolin-2-Yl)-3-Hydroxybutyl)Malonate(WXC00249),
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| Complexity | 680 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 434.169g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 31 |
| Hydrogen Bond Acceptor Count | 8 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 434.445g/mol |
| Monoisotopic Mass | 434.169g/mol |
| Rotatable Bond Count | 12 |
| Topological Polar Surface Area | 139A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.9 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number