| CAS Number | 1812220-67-9 |
| Catalog Number | AG01B6BO |
| Chemical Name | rac-(2R,6R)-4-benzyl-6-methylmorpholine-2-carbonitrile, cis |
| IUPAC Name | (2R,6R)-4-benzyl-6-methylmorpholine-2-carbonitrile |
| InChI | InChI=1S/C13H16N2O/c1-11-8-15(10-13(7-14)16-11)9-12-5-3-2-4-6-12/h2-6,11,13H,8-10H2,1H3/t11-,13+/m1/s1 |
| InChI Key | CFPNZEFGACMFGY-YPMHNXCESA-N |
| MDL Number | MFCD30181795 |
| Molecular Formula | C13H16N2O |
| Molecular Weight | 216.2789 |
| SMILES | N#C[C@@H]1O[C@H](C)CN(C1)Cc1ccccc1 |
| Synonyms | SCHEMBL17128035,
ZINC407986236,
EN300-304656,
rac-(2R,6R)-4-benzyl-6-methylmorpholine-2-carbonitrile, cis,
1812220-67-9,
|
| Complexity | 264 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 2 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 216.126g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 216.284g/mol |
| Monoisotopic Mass | 216.126g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 36.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number