| CAS Number | 1180519-44-1 |
| Catalog Number | AG00HED1(AGN-PC-0WG4A9) |
| Chemical Name | 1,3-DI-TERT-BUTYL 2-OXOPYRROLIDINE-1,3-DICARBOXYLATE |
| IUPAC Name | ditert-butyl 2-oxopyrrolidine-1,3-dicarboxylate |
| InChI | InChI=1S/C14H23NO5/c1-13(2,3)19-11(17)9-7-8-15(10(9)16)12(18)20-14(4,5)6/h9H,7-8H2,1-6H3 |
| InChI Key | QIXUDIGRBAMTIG-UHFFFAOYSA-N |
| MDL Number | MFCD24471094 |
| Molecular Formula | C14H23NO5 |
| Molecular Weight | 285.3361 |
| SMILES | CC(C)(C)OC(=O)C1CCN(C(=O)OC(C)(C)C)C1=O |
| Synonyms | 1180519-44-1,
1,3-DI-TERT-BUTYL 2-OXOPYRROLIDINE-1,3-DICARBOXYLATE,
Di-tert-butyl 2-oxopyrrolidine-1,3-dicarboxylate,
SCHEMBL20594536,
MFCD24471094,
TZ001235,
CS-0037117,
1,3-Bis(tert-butoxycarbonyl)pyrrolidine-2-one,
1,3-Di-t-butyl 2-oxopyrrolidine-1,3-dicarboxylate,
ditert-butyl 2-oxopyrrolidine-1,3-dicarboxylate,
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| Complexity | 416 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 285.158g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 20 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 285.34g/mol |
| Monoisotopic Mass | 285.158g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 72.9A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.1 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number