| CAS Number | 1822575-16-5 |
| Catalog Number | AG00I169(AGN-PC-0WG4CF) |
| Chemical Name | 1-tert-Butyl 2-methyl 5-cyanopyrrolidine-1,2-dicarboxylate |
| IUPAC Name | 1-O-tert-butyl 2-O-methyl 5-cyanopyrrolidine-1,2-dicarboxylate |
| InChI | InChI=1S/C12H18N2O4/c1-12(2,3)18-11(16)14-8(7-13)5-6-9(14)10(15)17-4/h8-9H,5-6H2,1-4H3 |
| InChI Key | KVJVGSUDWMVQKW-UHFFFAOYSA-N |
| MDL Number | MFCD24534729 |
| Molecular Formula | C12H18N2O4 |
| Molecular Weight | 254.2823 |
| SMILES | O=C(N1C(C(OC)=O)CCC1C#N)OC(C)(C)C |
| Synonyms | 1-tert-Butyl 2-methyl 5-cyanopyrrolidine-1,2-dicarboxylate,
1822575-16-5,
AS-70647,
CS-0035960,
1-(tert-Butyl) 2-methyl 5-cyanopyrrolidine-1,2-dicarboxylate,
|
| Complexity | 391 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 254.126657g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 254.28g/mol |
| Monoisotopic Mass | 254.126657g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 79.6Ų |
| Undefined Atom Stereocenter Count | 2 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.4 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number