| CAS Number | 959236-80-7 |
| Catalog Number | AG00IJIV(AGN-PC-0WRAAS) |
| Chemical Name | Benzyl 3-(hydroxymethyl)-4-methylpyrrolidine-1-carboxylate |
| IUPAC Name | benzyl 3-(hydroxymethyl)-4-methylpyrrolidine-1-carboxylate |
| InChI | InChI=1S/C14H19NO3/c1-11-7-15(8-13(11)9-16)14(17)18-10-12-5-3-2-4-6-12/h2-6,11,13,16H,7-10H2,1H3 |
| InChI Key | MRQXTCAWNGPCMI-UHFFFAOYSA-N |
| MDL Number | MFCD08461238 |
| Molecular Formula | C14H19NO3 |
| Molecular Weight | 249.3056 |
| SMILES | OCC1CN(CC1C)C(=O)OCc1ccccc1 |
| Synonyms | Benzyl 3-(hydroxymethyl)-4-methylpyrrolidine-1-carboxylate,
959236-80-7,
|
| Complexity | 276 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 249.136g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 249.31g/mol |
| Monoisotopic Mass | 249.136g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 49.8A^2 |
| Undefined Atom Stereocenter Count | 2 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.8 |
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Certificate of Analysis
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