| CAS Number | 1936302-93-0 |
| Catalog Number | AG01DTXC(AGN-PC-0WOH5I) |
| Chemical Name | tert-Butyl 3-allyl-3-(benzylamino)pyrrolidine-1-carboxylate |
| IUPAC Name | tert-butyl 3-(benzylamino)-3-prop-2-enylpyrrolidine-1-carboxylate |
| InChI | InChI=1S/C19H28N2O2/c1-5-11-19(20-14-16-9-7-6-8-10-16)12-13-21(15-19)17(22)23-18(2,3)4/h5-10,20H,1,11-15H2,2-4H3 |
| InChI Key | DWUHKFZKCBRMNP-UHFFFAOYSA-N |
| MDL Number | MFCD28991899 |
| Molecular Formula | C19H28N2O2 |
| Molecular Weight | 316.4378 |
| SMILES | CC(C)(C)OC(=O)N1CCC(CC=C)(C1)NCc1ccccc1 |
| Synonyms | tert-Butyl 3-allyl-3-(benzylamino)pyrrolidine-1-carboxylate,
1936302-93-0,
MFCD28991899,
AKOS027256432,
CS-0039934,
t-Butyl 3-allyl-3-(benzylamino)pyrrolidine-1-carboxylate,
1-Pyrrolidinecarboxylic acid, 3-[(phenylmethyl)amino]-3-(2-propen-1-yl)-, 1,1-dimethylethyl ester,
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| Complexity | 410 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 316.215g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 23 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 316.445g/mol |
| Monoisotopic Mass | 316.215g/mol |
| Rotatable Bond Count | 7 |
| Topological Polar Surface Area | 41.6A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.3 |
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Certificate of Analysis
Lot Number