| CAS Number | 1820717-14-3 |
| Catalog Number | AG00I11P(AGN-PC-0WBQH6) |
| Chemical Name | tert-Butyl 4-(3-aminopyrrolidin-1-yl)piperidine-1-carboxylate sesquioxalate |
| IUPAC Name | tert-butyl 4-(3-aminopyrrolidin-1-yl)piperidine-1-carboxylate;oxalic acid |
| InChI | InChI=1S/2C14H27N3O2.3C2H2O4/c2*1-14(2,3)19-13(18)16-8-5-12(6-9-16)17-7-4-11(15)10-17;3*3-1(4)2(5)6/h2*11-12H,4-10,15H2,1-3H3;3*(H,3,4)(H,5,6) |
| InChI Key | PGCGWKHWAVIWGC-UHFFFAOYSA-N |
| MDL Number | MFCD28139114 |
| Molecular Formula | C34H60N6O16 |
| Molecular Weight | 808.8708 |
| SMILES | OC(=O)C(=O)O.OC(=O)C(=O)O.OC(=O)C(=O)O.NC1CCN(C1)C1CCN(CC1)C(=O)OC(C)(C)C.NC1CCN(C1)C1CCN(CC1)C(=O)OC(C)(C)C |
| Synonyms | tert-butyl 4-(3-aminopyrrolidin-1-yl)piperidine-1-carboxylate sesquioxalate,
1820717-14-3,
F9995-2584,
AKOS026699912,
|
| Complexity | 391 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 5 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 808.407g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 56 |
| Hydrogen Bond Acceptor Count | 20 |
| Hydrogen Bond Donor Count | 8 |
| Isotope Atom Count | 0 |
| Molecular Weight | 808.88g/mol |
| Monoisotopic Mass | 808.407g/mol |
| Rotatable Bond Count | 9 |
| Topological Polar Surface Area | 341A^2 |
| Undefined Atom Stereocenter Count | 2 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number