| CAS Number | 2059936-27-3 |
| Catalog Number | AG01B6LX |
| Chemical Name | 1-benzyl-3-tert-butylpyrrolidine-3-carbaldehyde |
| IUPAC Name | 1-benzyl-3-tert-butylpyrrolidine-3-carbaldehyde |
| InChI | InChI=1S/C16H23NO/c1-15(2,3)16(13-18)9-10-17(12-16)11-14-7-5-4-6-8-14/h4-8,13H,9-12H2,1-3H3 |
| InChI Key | COXVEWWSGNCYLY-UHFFFAOYSA-N |
| MDL Number | MFCD30497513 |
| Molecular Formula | C16H23NO |
| Molecular Weight | 245.3599 |
| SMILES | CC(C1(C=O)CN(CC2=CC=CC=C2)CC1)(C)C |
| Synonyms | 1-benzyl-3-tert-butylpyrrolidine-3-carbaldehyde,
2059936-27-3,
|
| Complexity | 288 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 245.178g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 245.366g/mol |
| Monoisotopic Mass | 245.178g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 20.3A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.9 |
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Certificate of Analysis
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