| CAS Number | 1440960-50-8 |
| Catalog Number | AG01ELY6 |
| Chemical Name | tert-butyl 3-amino-3-(prop-2-en-1-yl)pyrrolidine-1-carboxylate |
| IUPAC Name | tert-butyl 3-amino-3-prop-2-enylpyrrolidine-1-carboxylate |
| InChI | InChI=1S/C12H22N2O2/c1-5-6-12(13)7-8-14(9-12)10(15)16-11(2,3)4/h5H,1,6-9,13H2,2-4H3 |
| InChI Key | NIJUVWOOJQTXTQ-UHFFFAOYSA-N |
| MDL Number | MFCD24857204 |
| Molecular Formula | C12H22N2O2 |
| Molecular Weight | 226.3153 |
| SMILES | CC(OC(N1CC(CC=C)(N)CC1)=O)(C)C |
| Synonyms | 3-ALLYL-3-AMINO-1-BOC-PYRROLIDINE,
1440960-50-8,
|
| Complexity | 283 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 226.168g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 226.32g/mol |
| Monoisotopic Mass | 226.168g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 55.6A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.3 |
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Certificate of Analysis
Lot Number