| CAS Number | 887587-43-1 |
| Catalog Number | AG004DQD(AGN-PC-0WD41R) |
| Chemical Name | 3-(2-Dimethylaminoethylamino)pyrrolidine-1-carboxylic acid tert-butyl ester |
| IUPAC Name | tert-butyl 3-[2-(dimethylamino)ethylamino]pyrrolidine-1-carboxylate |
| InChI | InChI=1S/C13H27N3O2/c1-13(2,3)18-12(17)16-8-6-11(10-16)14-7-9-15(4)5/h11,14H,6-10H2,1-5H3 |
| InChI Key | QXXLESWYFDJPFJ-UHFFFAOYSA-N |
| MDL Number | MFCD06656608 |
| Molecular Formula | C13H27N3O2 |
| Molecular Weight | 257.3724 |
| SMILES | CN(CCNC1CN(C(OC(C)(C)C)=O)CC1)C |
| Synonyms | 887587-43-1,
tert-Butyl 3-((2-(dimethylamino)ethyl)amino)pyrrolidine-1-carboxylate,
3-(2-Dimethylaminoethylamino)pyrrolidine-1-carboxylic acid tert-butyl ester,
TERT-BUTYL 3-(2-(DIMETHYLAMINO)ETHYLAMINO)PYRROLIDINE-1-CARBOXYLATE,
tert-Butyl 3-{[2-(dimethylamino)ethyl]amino}pyrrolidine-1-carboxylate,
CTK5G1593,
DTXSID50661746,
AB3381,
MFCD06656608,
SBB101902,
AKOS017560712,
BBV-44250684,
AX8280147,
DB-001460,
FT-0767924,
tert-butyl 3-{[2-(dimethylamino)ethyl]amino}pyrrolidinecarboxylate,
1-Boc-3-(2-Dimethylaminoethylamino)pyrrolidine,
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| Complexity | 274 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 257.21g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 257.378g/mol |
| Monoisotopic Mass | 257.21g/mol |
| Rotatable Bond Count | 6 |
| Topological Polar Surface Area | 44.8A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.9 |
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Certificate of Analysis
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