| CAS Number | 2096989-59-0 |
| Catalog Number | AG01DTSI |
| Chemical Name | [(2R,4R)-1-benzyl-4-methyl-pyrrolidin-2-yl]methanol |
| IUPAC Name | (1-benzyl-4-methylpyrrolidin-2-yl)methanol |
| InChI | InChI=1S/C13H19NO/c1-11-7-13(10-15)14(8-11)9-12-5-3-2-4-6-12/h2-6,11,13,15H,7-10H2,1H3 |
| InChI Key | BYFBLBLWIKQDCW-UHFFFAOYSA-N |
| MDL Number | MFCD31656845 |
| Molecular Formula | C13H19NO |
| Molecular Weight | 205.2961 |
| SMILES | C[C@@H]1C[C@H](CO)N(Cc2ccccc2)C1 |
| Synonyms | ((2R,4R)-1-benzyl-4-methylpyrrolidin-2-yl)methanol,
2096989-59-0,
SCHEMBL9802975,
|
| Complexity | 189 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 205.147g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 205.301g/mol |
| Monoisotopic Mass | 205.147g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 23.5A^2 |
| Undefined Atom Stereocenter Count | 2 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number